Geometry & MOs

Info

ID:	337120
PubChem CID:	127256685
Reduced:	NOC15H19 (1)
Stoich.:	ABC15D19 (1)
Weight, g/mol:	229.146664
ΔH_f, kcal/mol:	-27.96
Dipole, Da:	3.65
IP(EA), eV:	-8.91(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,9aR)-4-phenyl-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-one

Drug info:

PubChemData

Smile

C1CCN2[C@@H](C1)CC(=O)C[C@@H]2C3=CC=CC=C3

DOS

IR

Vibrations