Geometry & MOs

Info

ID:	337119
PubChem CID:	127256684
Reduced:	NO2C16H21 (1)
Stoich.:	AB2C16D21 (1)
Weight, g/mol:	229.146664
ΔH_f, kcal/mol:	-68.77
Dipole, Da:	4.5
IP(EA), eV:	-8.64(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)[C@H]2CC(=O)C[C@@H]3N2CCCC3

DOS

IR

Vibrations