Geometry & MOs

Info

ID:	296152
PubChem CID:	117558203
Reduced:	ON3H15C16 (1)
Stoich.:	AB3C15D16 (1)
Weight, g/mol:	251.105862
ΔH_f, kcal/mol:	32.31
Dipole, Da:	1.23
IP(EA), eV:	-8.94(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-cyano-N-(3,4-dimethylphenyl)pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1NC(=O)C2=CC(=NC=C2)CC#N

DOS

IR

Vibrations