1-[4-(8-Chloro-3-Methyl-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 C27H26ClN3O
IUPAC Name 1-[4-(8-chloro-3-methyl-5,6-dihydrobenzo[1,2]cyclohepta[3,4-b]pyridin-11-ylidene)-1-piperidyl]-2-(4-pyridyl)ethanone
Molecular Mass 443.968 g·mol−1
Heat of Formation 88.5 ± 16.7 kJ·mol−1
Dipole Moment 5.91 ± 1.08 D
Volume 529.76 Å 3
Surface Area 441.43 Å 2
HOMO Energy -9.16 ± 0.55 eV
LUMO Energy -0.71 ± eV
Point Group Symmetry C1
InChIKey KJDFLBHKZQUEFX-UHFFFAOYSA-N
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Elements H C N O Cl