Geometry & MOs

Info

ID:	48826
PubChem CID:	11528371
Reduced:	ON3C7H9 (1)
Stoich.:	AB3C7D9 (1)
Weight, g/mol:	151.099714
ΔH_f, kcal/mol:	32.88
Dipole, Da:	2.47
IP(EA), eV:	-9.07(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(9aR)-3,6,7,8,9,9a-hexahydroquinolizin-4-one

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)/N=C/NO

DOS

IR

Vibrations