8-Chloro-N'-[3-(4-Pyridinyl)Propanoyl]Dibenzo[B,F][1,4]Oxazepine-10(11H)-Carbohydrazide

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Formula C22H19ClN4O3
IUPAC Name 3-chloro-n'-[3-(4-pyridyl)propanoyl]-6h-benzo[b][1,4]benzoxazepine-5-carbohydrazide
Molecular Mass 422.864 g·mol−1
Heat of Formation -78.5 ± 16.7 kJ·mol−1
Dipole Moment 4.18 ± 1.08 D
Volume 470.04 Å 3
Surface Area 421.54 Å 2
HOMO Energy -9.03 ± 0.55 eV
LUMO Energy -0.51 ± eV
Point Group Symmetry C1
Synonyms
  • 3-chloro-n'-[1-oxo-3-(4-pyridyl)propyl]-6h-benzo[b][1,5]benzoxazepine-5-carbohydrazide
  • 3-chloro-n'-[3-(4-pyridyl)propanoyl]-6h-benzo[b][1,5]benzoxazepine-5-carbohydrazide
  • sc51089
InChIKey XDJPQOUDGROSEU-UHFFFAOYSA-N
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Elements H C N O Cl