Geometry & MOs

Info

ID:	372068
PubChem CID:	131292795
Reduced:	N3C13H13 (1)
Stoich.:	A3B13C13 (1)
Weight, g/mol:	211.110947
ΔH_f, kcal/mol:	67.1
Dipole, Da:	2.04
IP(EA), eV:	-9.34(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-2-(2-methylquinolin-3-yl)propanenitrile

Drug info:

PubChemData

Smile

CC1=NC2=CC=CC=C2C=C1C(CC#N)N

DOS

IR

Vibrations