N-[(3R)-9-Amino-4-Oxo-1-Phenyl-3,4,6,7-Tetrahydro[1,4]Diazepino[6,7,1-Hi]Indol-3-Yl]Nicotinamide
Properties
Property | Value |
---|---|
Formula | C23H19N5O2 |
IUPAC Name | n-[(3r)-9-amino-4-oxo-1-phenyl-3,4,6,7-tetrahydro[1,4]diazepino[6,7,1-hi]indol-3-yl]nicotinamide |
Molecular Mass | 397.429 g·mol−1 |
Heat of Formation | 137.2 ± 16.7 kJ·mol−1 |
Dipole Moment | 6.43 ± 1.08 D |
Volume | 456.56 Å 3 |
Surface Area | 400.97 Å 2 |
HOMO Energy | -8.30 ± 0.55 eV |
LUMO Energy | -0.76 ± eV |
Point Group Symmetry | C1 |
InChIKey | XGXOSJSGDNPEEF-NRFANRHFSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O N |