Geometry & MOs

Info

ID:	337117
PubChem CID:	127256682
Reduced:	NO2H5C6 (1)
Stoich.:	AB2C5D6 (1)
Weight, g/mol:	297.06872
ΔH_f, kcal/mol:	-2.38
Dipole, Da:	3.53
IP(EA), eV:	-10.4(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(N=C1)(C=O)C=O

DOS

IR

Vibrations