Geometry & MOs

Info

ID:	296151
PubChem CID:	117558167
Reduced:	O2N3C12H15 (1)
Stoich.:	A2B3C12D15 (1)
Weight, g/mol:	265.121512
ΔH_f, kcal/mol:	-30.39
Dipole, Da:	2.43
IP(EA), eV:	-9.94(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyanomethyl)-N-(2-ethylphenyl)pyridine-4-carboxamide

Drug info:

PubChemData

Smile

COCCCNC(=O)C1=CC(=NC=C1)CC#N

DOS

IR

Vibrations