1-[4-(8-Chloro-5,6-Dihydro-11H-Benzo[5,6]Cyclohepta[1,2-B]Pyridin-11-Ylidene)-1-Piperidinyl]-2-(4-Pyridinyl)Ethanone
Properties
Property | Value |
---|---|
Formula | C26H24ClN3O |
IUPAC Name | 1-[4-(13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-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 |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C N O Cl |