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