| Formula |
C28H31N5O |
| IUPAC Name |
(2s)-2-[4-[(2s)-2-(benzhydrylamino)propanoyl]piperazin-1-yl]-2-(2-methylpyridin-1-ium-3-id-3-yl)acetonitrile |
| Molecular Mass |
453.579 g·mol−1 |
| Heat of Formation |
293.1 ± 16.7 kJ·mol−1 |
| Dipole Moment |
4.36 ± 1.08 D |
| Volume |
573.33 Å 3 |
| Surface Area |
452.55 Å 2 |
| HOMO Energy |
-9.15 ± 0.55 eV |
| LUMO Energy |
2.49 ± eV |
| Point Group Symmetry |
C1
|
| InChIKey |
ZSCVXEZGIIBLGT-ATIYNZHBSA-N |
| QR Code |
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| Links |
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|
| DOI |
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| Downloads |
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|
| Elements |
H
C
O
N
|
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