3-Bromo-10-(Difluoromethyl)-9H-Imidazo[1,5-A][1,2,4]Triazolo[1,5-D][1,4]Benzodiazepine
Properties
Property | Value |
---|---|
Formula | C13H8BrF2N5 |
IUPAC Name | 15-bromo-5-(difluoromethyl)-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene |
Molecular Mass | 352.137 g·mol−1 |
Heat of Formation | 127.0 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.55 ± 1.08 D |
Volume | 320.79 Å 3 |
Surface Area | 284.43 Å 2 |
HOMO Energy | -9.80 ± 0.55 eV |
LUMO Energy | -1.57 ± eV |
Point Group Symmetry | C1 |
InChIKey | AFJRYPJIKHMNGL-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 Br F |