Formula |
C23H28ClN5O2 |
IUPAC Name |
7-amino-2-[(2-chlorophenyl)methylamino]-1-[[(1s,2s)-2-hydroxycycloheptyl]methyl]benzimidazole-5-carboxamide |
Molecular Mass |
441.954 g·mol−1 |
Heat of Formation |
-189.0 ± 16.7 kJ·mol−1 |
Dipole Moment |
10.80 ± 1.08 D |
Volume |
521.58 Å 3 |
Surface Area |
435.46 Å 2 |
HOMO Energy |
-8.14 ± 0.55 eV |
LUMO Energy |
2.39 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
AQAQDMCJHAROPH-YWZLYKJASA-N |
QR Code |
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Links |
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Elements |
H
C
Cl
O
N
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