2-{4-[3-(7-Chlorodibenzo[B,E][1,4]Oxazepin-5(11H)-Yl)Propyl]-1-Piperazinyl}Ethanol

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Formula C22H28ClN3O2
IUPAC Name 2-[4-[3-(2-chloro-6h-benzo[c][1,5]benzoxazepin-11-yl)propyl]piperazin-1-yl]ethanol
Molecular Mass 401.930 g·mol−1
Heat of Formation -129.6 ± 16.7 kJ·mol−1
Dipole Moment 2.20 ± 1.08 D
Volume 477.01 Å 3
Surface Area 381.84 Å 2
HOMO Energy -8.09 ± 0.55 eV
LUMO Energy -0.19 ± eV
Point Group Symmetry C1
Synonyms
  • 1-piperazineethanol, 4-(3-(7-chlorodibenz(b,e)(1,4)oxazepin-5(11h)-ylidene)propyl)-
  • 2-[4-[3-(2-chloro-6h-benzo[c][1,5]benzoxazepin-11-yl)propyl]-1-piperazinyl]ethanol
  • 2-[4-[3-(2-chloro-6h-benzo[c][1,5]benzoxazepin-11-yl)propyl]piperazin-1-yl]ethanol
  • 4-(3-(7-chloro-5,11-dihydrodibenz(b,e)(1,4)oxazepin-5-yl)propyl)-alpha,beta-1-piperazineethanol
  • sq 11,290
  • sq 11290
CAS Number(s)
  • 28318-18-5
InChIKey XQXPXVNTJBOLGO-UHFFFAOYSA-N
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Elements H C N O Cl