5-[3-(Dimethylamino)Propyl]-5,10-Dihydro-11H-Dibenzo[B,E][1,4]Diazepin-11-One

Molecule SVG Image

Properties Simple | Detailed

Formula C18H21N3O
IUPAC Name 11-[3-(dimethylamino)propyl]benzo[b][1,4]benzodiazepine-5,11-diium-6-one
Molecular Mass 295.379 g·mol−1
Heat of Formation 62.7 ± 16.7 kJ·mol−1
Dipole Moment 2.77 ± 1.08 D
Volume 370.38 Å 3
Surface Area 308.33 Å 2
HOMO Energy -8.36 ± 0.55 eV
LUMO Energy 2.58 ± eV
Point Group Symmetry C1
Synonyms
  • 11-(3-dimethylaminopropyl)-5h-benzo[b][1,4]benzodiazepin-6-one
  • 11h-dibenzo(b,e)(1,4)diazepin-11-one, 5,10-dihydro-5-(3-(dimethylamino)propyl)-
  • 11h-dibenzo[b,e][1,4]diazepin-11-one, 5-[3-(dimethylamino)propyl]-5,10-dihydro-
  • 5-(3-(dimethylamino)propyl)-5,10-dihydro-11h-dibenzo(b,e)(1,4)diazepin-11-one
  • u 17660
CAS Number(s)
  • 13450-72-1
InChIKey SUKRRJYMPHOCIP-UHFFFAOYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N