6-Azido-9-Chloro-3-Methyl-2,3,4,5-Tetrahydro-1H-3-Benzazepine

Molecule SVG Image

Properties Simple | Detailed

Formula C11H13ClN4
IUPAC Name 9-azido-6-chloro-3-methyl-1,2,4,5-tetrahydro-3-benzazepine
Molecular Mass 236.701 g·mol−1
Heat of Formation 356.7 ± 16.7 kJ·mol−1
Dipole Moment 2.29 ± 1.08 D
Volume 276.6 Å 3
Surface Area 251.17 Å 2
HOMO Energy -9.08 ± 0.55 eV
LUMO Energy -0.88 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-2-benzazepine, 6-azido-9-chloro-2,3,4,5-tetrahydro-3-methyl-
  • 3-methyl-6-chloro-9-azido-1h-2,3,4,5-tetrahydro-3-benzazepine
  • 9-azido-6-chloro-3-methyl-1,2,4,5-tetrahydro-3-benzazepine
  • sk&f 102229
  • sk&f-102229
  • skf 102229
CAS Number(s)
  • 99795-09-2
InChIKey IPDFHYWGTISNFB-UHFFFAOYSA-N
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Elements H C N Cl