Formula |
C23H29N3O4 |
IUPAC Name |
3-[1-[(1r,2r)-2-(3,4-dimethoxyphenyl)-2-hydroxy-1-methyl-ethyl]-4-piperidyl]-1h-benzimidazol-2-one |
Molecular Mass |
411.494 g·mol−1 |
Heat of Formation |
-468.7 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.67 ± 1.08 D |
Volume |
499.39 Å 3 |
Surface Area |
420.15 Å 2 |
HOMO Energy |
-8.72 ± 0.55 eV |
LUMO Energy |
-0.27 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
AZJKALGGNNUPKU-IVZQSRNASA-N |
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Links |
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Elements |
H
C
O
N
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