4-[3-(2,6-Dimethyl-4-Pyridinyl)Phenyl]-7-Methyl-8-(Trifluoromethyl)-1,3-Dihydro-2H-1,5-Benzodiazepin-2-One
Properties
Property | Value |
---|---|
Formula | C24H20F3N3O |
IUPAC Name | 4-[3-(2,6-dimethyl-4-pyridyl)phenyl]-7-methyl-8-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-2-one |
Molecular Mass | 423.430 g·mol−1 |
Heat of Formation | -545.0 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.95 ± 1.08 D |
Volume | 476.79 Å 3 |
Surface Area | 419.98 Å 2 |
HOMO Energy | -9.35 ± 0.55 eV |
LUMO Energy | 1.67 ± eV |
Point Group Symmetry | C1 |
InChIKey | LYTVXCQQTLUEQR-UHFFFAOYSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C N O F |