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

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Formula C23H28F3N3O2
IUPAC Name 2-[4-[3-[2-(trifluoromethyl)-6h-benzo[c][1,5]benzoxazepin-11-yl]propyl]piperazin-1-yl]ethanol
Molecular Mass 435.483 g·mol−1
Heat of Formation -759.3 ± 16.7 kJ·mol−1
Dipole Moment 5.56 ± 1.08 D
Volume 501.62 Å 3
Surface Area 398.83 Å 2
HOMO Energy -8.20 ± 0.55 eV
LUMO Energy -0.40 ± eV
Point Group Symmetry C1
Synonyms
  • 1-piperazineethanol, 4-(3-(7-(trifluoromethyl)dibenz(b,e)(1,4)oxazepin-5(11)-yl)propyl)-
  • 2-[4-[3-[2-(trifluoromethyl)-6h-benzo[c][1,5]benzoxazepin-11-yl]propyl]-1-piperazinyl]ethanol
  • 2-[4-[3-[2-(trifluoromethyl)-6h-benzo[c][1,5]benzoxazepin-11-yl]propyl]piperazin-1-yl]ethanol
  • 4-(3-(7-trifluoromethyl)-5,11-dihydrodibenz(b,e)(1,4)oxazepin-5-yl)propyl-1-piperazineethanol
  • sq 11,005
  • sq 11005
CAS Number(s)
  • 27139-87-3
InChIKey ZURSYPQIVMUVMY-UHFFFAOYSA-N
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