Geometry & MOs

Info

ID:	197347
PubChem CID:	78953992
Reduced:	NOC13H21 (1)
Stoich.:	ABC13D21 (1)
Weight, g/mol:	239.105862
ΔH_f, kcal/mol:	-42.96
Dipole, Da:	2.42
IP(EA), eV:	-8.76(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-cyanopropyl)quinoline-4-carboxamide

Drug info:

PubChemData

Smile

CCCCN(C)C(C)C1=CC(=CC=C1)O

DOS

IR

Vibrations