1-[4-(8-Chloro-5,6-Dihydro-11H-Benzo[5,6]Cyclohepta[1,2-B]Pyridin-11-Ylidene)-1-Piperidinyl]-2-(4-Pyridinyl)Ethanone

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Properties Simple | Detailed

Formula C26H24ClN3O
IUPAC Name 1-[4-(8-chloro-5,6-dihydrobenzo[4,5]cyclohepta[1,2-b]pyridin-11-ylidene)-1-piperidyl]-2-(4-pyridyl)ethanone
Molecular Mass 429.941 g·mol−1
Heat of Formation 139.5 ± 16.7 kJ·mol−1
Dipole Moment 7.78 ± 1.08 D
Volume 505.85 Å 3
Surface Area 423.51 Å 2
HOMO Energy -9.16 ± 0.55 eV
LUMO Energy -0.54 ± eV
Point Group Symmetry C1
InChIKey KIFXOXSGYMUANJ-UHFFFAOYSA-N
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Elements H C N O Cl