Geometry & MOs

Info

ID:	296646
PubChem CID:	117587166
Reduced:	O2N3H9C12 (1)
Stoich.:	A2B3C9D12 (1)
Weight, g/mol:	251.105862
ΔH_f, kcal/mol:	18.11
Dipole, Da:	3.33
IP(EA), eV:	-8.85(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-cyano-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(O1)NC(=O)C2=CN=CC(=C2)C#N

DOS

IR

Vibrations