1-{4-[(11S)-8-Chloro-6,11-Dihydro-5H-Benzo[5,6]Cyclohepta[1,2-B]Pyridin-11-Yl]-1-Piperazinyl}Ethanone

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Properties Simple | Detailed

Formula C20H22ClN3O
IUPAC Name 1-[4-[(2s)-13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl]piperazin-1-yl]ethanone
Molecular Mass 355.861 g·mol−1
Heat of Formation -2.2 ± 16.7 kJ·mol−1
Dipole Moment 2.11 ± 1.08 D
Volume 421.51 Å 3
Surface Area 350.03 Å 2
HOMO Energy -9.01 ± 0.55 eV
LUMO Energy -0.40 ± eV
Point Group Symmetry C1
InChIKey AIESXMXVDNOKQF-FQEVSTJZSA-N
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Elements H C N O Cl