Geometry & MOs

Info

ID:	280939
PubChem CID:	103852045
Reduced:	SO2N3C15H15 (1)
Stoich.:	AB2C3D15E15 (1)
Weight, g/mol:	273.126598
ΔH_f, kcal/mol:	-1.04
Dipole, Da:	5.02
IP(EA), eV:	-8.54(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(8-methylquinolin-5-yl)amino]methyl]benzonitrile

Drug info:

PubChemData

Smile

CS(=O)(=O)NC1=CC=C(C=C1)NCC2=CC=CC=C2C#N

DOS

IR

Vibrations