Geometry & MOs

Info

ID:	129843
PubChem CID:	51074026
Reduced:	NOC7H7 (2)
Stoich.:	ABC7D7 (2)
Weight, g/mol:	220.193949
ΔH_f, kcal/mol:	-23.14
Dipole, Da:	3.69
IP(EA), eV:	-9.13(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)pentanenitrile

Drug info:

PubChemData

Smile

CN(C1=CC=CC=C1)C(=O)C2=CN=C(C=C2)OC

DOS

IR

Vibrations