(4-Chlorophenyl)[(2R,9As)-Octahydro-2H-Quinolizin-2-Yl]Methanone

Molecule SVG Image

Properties Simple | Detailed

Formula C16H20ClNO
IUPAC Name [(2r,5s,9as)-2,3,4,6,7,8,9,9a-octahydro-1h-quinolizin-2-yl]-(4-chlorophenyl)methanone
Molecular Mass 277.789 g·mol−1
Heat of Formation -146.8 ± 16.7 kJ·mol−1
Dipole Moment 1.47 ± 1.08 D
Volume 340.21 Å 3
Surface Area 283.25 Å 2
HOMO Energy -8.75 ± 0.55 eV
LUMO Energy -0.68 ± eV
Point Group Symmetry C1
Synonyms
  • [(2r,9as)-2,3,4,6,7,8,9,9a-octahydro-1h-quinolizin-2-yl]-(4-chlorophenyl)methanone
  • [(2r,9as)-quinolizidin-2-yl]-(4-chlorophenyl)methanone
  • hsr 740
  • hsr-740
  • methanone, (4-chlorophenyl)(octahydro-2h-quinolizin-2-yl)-, cis-
  • trans(3h,9ah)-3-(4-chloro)benzoylquinolizidine
CAS Number(s)
  • 57661-45-7
InChIKey FXZJUVNEMFIWMF-HIFRSBDPSA-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