8-Chloro-11-(4-Methyl-4-Oxido-1-Piperazinyl)-10H-Dibenzo[B,E][1,4]Diazepine

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Properties Simple | Detailed

Formula C18H19ClN4O
IUPAC Name 3-chloro-6-(4-methyl-4-oxido-piperazin-4-ium-1-yl)-5h-benzo[b][1,4]benzodiazepine
Molecular Mass 342.823 g·mol−1
Heat of Formation 397.5 ± 16.7 kJ·mol−1
Dipole Moment 5.19 ± 1.08 D
Volume 395.19 Å 3
Surface Area 336.53 Å 2
HOMO Energy -8.04 ± 0.55 eV
LUMO Energy 2.78 ± eV
Point Group Symmetry C1
Synonyms
  • 3-chloro-6-(4-methyl-4-oxido-1-piperazin-4-iumyl)-5h-benzo[c][1,5]benzodiazepine
  • 3-chloro-6-(4-methyl-4-oxido-piperazin-4-ium-1-yl)-5h-benzo[c][1,5]benzodiazepine
  • 3-chloro-6-(4-methyl-4-oxidopiperazin-4-ium-1-yl)-5h-benzo[c][1,5]benzodiazepine
InChIKey WYRDWWAASBTJLM-UHFFFAOYSA-N
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Elements H C N O Cl