11-(4-Acetyl-1-Piperazinyl)-2-Chlorodibenzo[B,F][1,4]Oxazepine

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Properties Simple | Detailed

Formula C19H18ClN3O2
IUPAC Name 1-[4-(8-chlorobenzo[b][1,4]benzoxazepin-6-yl)piperazin-1-yl]ethanone
Molecular Mass 355.818 g·mol−1
Heat of Formation -57.0 ± 16.7 kJ·mol−1
Dipole Moment 3.43 ± 1.08 D
Volume 401.48 Å 3
Surface Area 344.65 Å 2
HOMO Energy -8.75 ± 0.55 eV
LUMO Energy -1.05 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[4-(8-chloro-6-benzo[b][1,5]benzoxazepinyl)-1-piperazinyl]ethanone
  • 1-[4-(8-chlorobenzo[b][1,5]benzoxazepin-6-yl)piperazin-1-yl]ethanone
  • amoxapine acetate ii.
  • n-acetylamoxapine
  • piperazine, 1-acetyl-4-(2-chlorodibenz(b,f)(1,4)oxazepin-11-yl)-
CAS Number(s)
  • 126588-76-9
InChIKey DJLYJAUDFYYWCM-UHFFFAOYSA-N
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Elements H C N O Cl