2-Chloro-11-(4-Methyl-1-Piperazinyl)Dibenzo[B,F][1,4]Oxazepin-8-Ol

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Properties Simple | Detailed

Formula C18H18ClN3O2
IUPAC Name 8-chloro-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzoxazepin-3-ol
Molecular Mass 343.807 g·mol−1
Heat of Formation -24.0 ± 16.7 kJ·mol−1
Dipole Moment 2.52 ± 1.08 D
Volume 389.58 Å 3
Surface Area 339.93 Å 2
HOMO Energy -8.65 ± 0.55 eV
LUMO Energy -0.99 ± eV
Point Group Symmetry C1
Synonyms
  • 2-chloro-11-(4-methyl-1-piperazinyl)dibenz(b,f)*
  • 8-chloro-6-(4-methyl-1-piperazinyl)-3-benzo[b][1,5]benzoxazepinol
  • 8-hydroxyloxapine
  • dibenz(b,f)(1,4)oxazepin-8-ol, 2-chloro-11-(4-methyl-1-piperazinyl)-
CAS Number(s)
  • 61443-77-4
InChIKey VNJRIWXLPIYFGI-UHFFFAOYSA-N
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Elements H C N O Cl