File:5-MeO-MiPT UB3LYP.png
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Summary
| ⧼wm-license-information-description⧽ |
English: Ball and bond-type visualization of isolated 5-MeO-MiPT molecule.
Atoms: White: Hydrogen, Black: Carbon, Red: Oxygen, Blue: Nitrogen
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| ⧼wm-license-information-date⧽ | |||
| ⧼wm-license-information-source⧽ | ⧼Wm-license-own-work⧽ | ||
| ⧼wm-license-information-author⧽ | Meisam |
Licencing
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Geometry in Z-matrix
C C 1 B1 H 2 B2 1 A1 C 2 B3 1 A2 3 D1 0 N 2 B4 1 A3 4 D2 0 H 5 B5 2 A4 1 D3 0 C 4 B6 2 A5 1 D4 0 H 7 B7 4 A6 2 D5 0 H 7 B8 4 A7 2 D6 0 C 1 B9 4 A8 2 D7 0 H 10 B10 1 A9 4 D8 0 N 7 B11 4 A10 2 D9 0 O 10 B12 1 A11 4 D10 0 C 13 B13 10 A12 1 D11 0 H 14 B14 13 A13 10 D12 0 H 14 B15 13 A14 10 D13 0 H 14 B16 13 A15 10 D14 0 C 12 B17 7 A16 4 D15 0 H 18 B18 12 A17 7 D16 0 H 18 B19 12 A18 7 D17 0 C 12 B20 7 A19 4 D18 0 H 21 B21 12 A20 7 D19 0 H 21 B22 12 A21 7 D20 0 H 21 B23 12 A22 7 D21 0 C 12 B24 7 A23 4 D22 0 H 25 B25 12 A24 7 D23 0 C 25 B26 12 A25 7 D24 0 H 27 B27 25 A26 12 D25 0 H 27 B28 25 A27 12 D26 0 H 27 B29 25 A28 12 D27 0 C 25 B30 12 A29 7 D28 0 H 31 B31 25 A30 12 D29 0 H 31 B32 25 A31 12 D30 0 H 31 B33 25 A32 12 D31 0 C 13 B34 10 A33 1 D32 0 C 35 B35 13 A34 10 D33 0 H 36 B36 35 A35 13 D34 0 C 36 B37 35 A36 13 D35 0 H 38 B38 36 A37 35 D36 0 C 5 B39 2 A38 1 D37 0
B1 2.25255988 B2 1.08146917 B3 1.37297237 B4 1.38229906 B5 1.00588485 B6 1.50176880 B7 1.09566360 B8 1.09685663 B9 1.40201940 B10 1.08511257 B11 2.50604084 B12 2.34152570 B13 1.41468592 B14 1.09155719 B15 1.09852744 B16 1.09854199 B17 1.46305771 B18 1.10661582 B19 1.09507093 B20 1.45776029 B21 1.09256938 B22 1.10594130 B23 1.09372564 B24 1.47774137 B25 1.09779737 B26 1.53395324 B27 1.09486806 B28 1.09529139 B29 1.09355140 B30 1.54221159 B31 1.09525541 B32 1.09468034 B33 1.09539852 B34 1.37498259 B35 1.41218664 B36 1.08296896 B37 1.39334527 B38 1.08639345 B39 1.38276164 A1 167.19025702 A2 38.05469798 A3 72.40522972 A4 125.42666240 A5 126.94119655 A6 109.12326912 A7 110.54901324 A8 133.54837978 A9 121.98584124 A10 145.10199951 A11 151.19660658 A12 150.89240563 A13 106.08997683 A14 111.98793490 A15 111.96611977 A16 34.60298966 A17 112.65787130 A18 108.09870400 A19 100.56332313 A20 110.49150297 A21 113.95438743 A22 109.78095702 A23 141.93340484 A24 104.76204172 A25 111.15587000 A26 110.09867080 A27 112.25667268 A28 110.37355708 A29 115.06746477 A30 110.43441775 A31 111.52002558 A32 111.62072719 A33 32.50275356 A34 123.57934798 A35 120.43778553 A36 120.67226650 A37 120.21497402 A38 108.90002201 D1 0.97324907 D2 179.84362700 D3 177.95301041 D4 178.39778656 D5 18.24370336 D6 134.99506458 D7 -179.50953616 D8 -0.17393709 D9 -108.94590619 D10 179.68504982 D11 0.41201601 D12 179.52054899 D13 -61.73378528 D14 60.77116321 D15 8.11990963 D16 123.40356124 D17 -119.46378961 D18 121.95755824 D19 143.05818979 D20 -95.04518520 D21 25.40445714 D22 -36.41955662 D23 -22.00902835 D24 -136.86508102 D25 168.27091252 D26 -72.55244555 D27 48.41233180 D28 95.61824406 D29 -174.02776939 D30 -54.36558505 D31 66.52940176 D32 -0.11765511 D33 -179.98138994 D34 0.03108329 D35 179.90187641 D36 -179.83594703 D37 0.18471727
File history
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| Date/Time | Thumbnail | Dimensions | User | Comment | |
|---|---|---|---|---|---|
| current | 19:59, 10 September 2016 | | 3,288 × 2,520 (508 KB) | Meisam (talk | contribs) | crop extra white space |
| 19:56, 10 September 2016 |  | 5,754 × 2,925 (511 KB) | Meisam (talk | contribs) | =={{int:filedesc}}== {{Information |description={{en|1=Ball and bond-type visualization of isolated 5-MeO-MiPT molecule. <br>'''Atoms''': White: Hydrogen, Black: Carbon, Red: Oxygen, Blue: Nitrogen}} {{Molecular-geometry|B3LYP}} |date=2016-09-10 |s... |
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