Geometry & MOs

Info

ID:	212646
PubChem CID:	81061299
Reduced:	ON4C16H16 (1)
Stoich.:	AB4C16D16 (1)
Weight, g/mol:	276.137497
ΔH_f, kcal/mol:	12.65
Dipole, Da:	7.48
IP(EA), eV:	-8.79(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[N-(2-cyanoethyl)anilino]-2,6-dimethylpyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C#N)NC2=CC(=CC=C2)NC(=O)C

DOS

IR

Vibrations