Geometry & MOs

Info

ID:	296158
PubChem CID:	117558467
Reduced:	ON3H13C15 (1)
Stoich.:	AB3C13D15 (1)
Weight, g/mol:	265.121512
ΔH_f, kcal/mol:	32.43
Dipole, Da:	4.39
IP(EA), eV:	-8.92(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-cyano-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)NC(=O)C2=NC=CC(=C2)C#N)C

DOS

IR

Vibrations