Geometry & MOs

Info

ID:	382927
PubChem CID:	134974367
Reduced:	SN2C21H22 (1)
Stoich.:	AB2C21D22 (1)
Weight, g/mol:	207.079647
ΔH_f, kcal/mol:	63.05
Dipole, Da:	5.09
IP(EA), eV:	-8.15(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(quinolin-2-ylmethyl)propanedinitrile

Drug info:

PubChemData

Smile

CC1=CC(=CC(=S)N1C2=CC=CC3=CC=CC=C32)N4CCCCC4

DOS

IR

Vibrations