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

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Properties Simple | Detailed

Formula C17H19N3O
IUPAC Name 11-[3-(methylamino)propyl]benzo[b][1,4]benzodiazepine-5,11-diium-6-one
Molecular Mass 281.352 g·mol−1
Heat of Formation 70.9 ± 16.7 kJ·mol−1
Dipole Moment 4.10 ± 1.08 D
Volume 349.02 Å 3
Surface Area 299.26 Å 2
HOMO Energy -8.49 ± 0.55 eV
LUMO Energy 2.56 ± eV
Point Group Symmetry C1
Synonyms
  • 11-(3-methylaminopropyl)-5h-benzo[b][1,4]benzodiazepin-6-one
  • 11h-dibenzo[b,e][1,4]diazepin-11-one, 5,10-dihydro-5-[3-(methylamino)propyl]-
  • 5,10-dihydro-5-(3-(methylamino)propyl)-11h-dibenzo(b,e)(1,4)diazepin-11-one
  • ci 600
  • methylaminopropyldibenzodiazepinone
InChIKey XOMDALGJAOGYEC-UHFFFAOYSA-N
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