7-Chloro-1-Methyl-5-(4-Oxo-2,5-Cyclohexadien-1-Ylidene)-1,3,4,5-Tetrahydro-2H-1,4-Benzodiazepin-2-One
Properties
Property | Value |
---|---|
Formula | C16H13ClN2O2 |
IUPAC Name | 7-chloro-1-methyl-5-(4-oxocyclohexa-2,5-dien-1-ylidene)-3,4-dihydro-1,4-benzodiazepin-2-one |
Molecular Mass | 300.740 g·mol−1 |
Heat of Formation | -43.5 ± 16.7 kJ·mol−1 |
Dipole Moment | 7.86 ± 1.08 D |
Volume | 332.91 Å 3 |
Surface Area | 294.05 Å 2 |
HOMO Energy | -8.59 ± 0.55 eV |
LUMO Energy | -1.48 ± eV |
Point Group Symmetry | C1 |
Synonyms |
|
CAS Number(s) |
|
InChIKey | DUOJMGDRGYQPBR-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 Cl |