4-{[4-(8-Chloro-5,6-Dihydro-11H-Benzo[5,6]Cyclohepta[1,2-B]Pyridin-11-Ylidene)-1-Piperidinyl]Carbonyl}-1(2H)-Pyridinolate

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Properties Simple | Detailed

Formula C25H23ClN3O2-
IUPAC Name [4-(13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)-1-piperidyl]-(1-oxido-2h-pyridin-4-yl)methanone
Molecular Mass 432.922 g·mol−1
Heat of Formation 3243.9 ± 16.7 kJ·mol−1
Dipole Moment 8.85 ± 1.08 D
Volume 431.81 Å 3
Surface Area 368.74 Å 2
HOMO Energy -8.78 ± 0.55 eV
LUMO Energy -2.74 ± eV
Point Group Symmetry C1
CAS Number(s)
  • 133330-43-5
InChIKey IJTLWVCXERQDJL-UHFFFAOYSA-N
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Elements C N O Cl