Dibenzepin

Molecule SVG Image

Properties Simple | Detailed

Formula C18H21N3O
IUPAC Name 5-[2-(dimethylamino)ethyl]-11-methyl-benzo[b][1,4]benzodiazepine-5,11-diium-6-one
Molecular Mass 295.379 g·mol−1
Heat of Formation 87.9 ± 16.7 kJ·mol−1
Dipole Moment 4.27 ± 1.08 D
Volume 367.78 Å 3
Surface Area 319.81 Å 2
HOMO Energy -8.41 ± 0.55 eV
LUMO Energy -0.32 ± eV
Point Group Symmetry C1
Synonyms
  • 10-(2-(dimethylamino)ethyl)-5-methyl-5h-dibenzo(b,e)(1,4)diazepin-11(10h)-one
  • 10-[2-(dimethylamino)ethyl]-5-methyl-5,10-dihydro-11h-dibenzo[b,e][1,4]diazepin-11-one
  • 11h-dibenzo(b,e)(1,4)diazepin-11-one, 10-(2-(dimethylamino)ethyl)-5,10-dihydro-5-methyl-
  • 11h-dibenzo(b,e)(1,4)diazepin-11-one, 5,10-dihydro-10-(2-(dimethylamino)ethyl)-5-methyl-
  • 11h-dibenzo[b,e][1,4]diazepin-11-one, 10-[2-(dimethylamino)ethyl]-5,10-dihydro-5-methyl-
  • 5,10-dihydro-10-(2-(dimethylamino)ethyl)-5-methyl-11h-dibenzo(b,e)(1,4)diazepin-11-one
  • 5-(2-dimethylaminoethyl)-11-methyl-6-benzo[b][1,4]benzodiazepinone
  • 5-(2-dimethylaminoethyl)-11-methyl-benzo[b][1,4]benzodiazepin-6-one
  • 5-(2-dimethylaminoethyl)-11-methylbenzo[b][1,4]benzodiazepin-6-one
  • 5h-dibenzo(b,e)(1,4)diazepin-11(10h)-one, 10-(2-(dimethylamino)ethyl)-5-methyl-
  • biomol-nt_000090
  • bpbio1_001093
  • dibenzepine
  • oprea1_703590
CAS Number(s)
  • 4498-32-2
InChIKey QPGGEKPRGVJKQB-UHFFFAOYSA-N
QR Code Generate QR Code
Links PubChem Wikipedia ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N