Geometry & MOs

Info

ID:	296160
PubChem CID:	117558479
Reduced:	ClON3H8C13 (1)
Stoich.:	ABC3D8E13 (1)
Weight, g/mol:	242.116761
ΔH_f, kcal/mol:	45.61
Dipole, Da:	2.96
IP(EA), eV:	-9.21(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(aminomethyl)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations