8-Chloro-1-Methyl-6-Phenyl-4H-[1,2,4]Triazolo[4,3-A][1,4]Benzodiazepin-4-Ol
Properties
Property | Value |
---|---|
Formula | C17H13ClN4O |
IUPAC Name | (4r)-8-chloro-1-methyl-6-phenyl-4h-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-ol |
Molecular Mass | 324.764 g·mol−1 |
Heat of Formation | 293.7 ± 16.7 kJ·mol−1 |
Dipole Moment | 5.38 ± 1.08 D |
Volume | 357.61 Å 3 |
Surface Area | 310.28 Å 2 |
HOMO Energy | -9.82 ± 0.55 eV |
LUMO Energy | 1.79 ± eV |
Point Group Symmetry | C1 |
InChIKey | CEYGCFLPQFNPST-QGZVFWFLSA-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 Cl |