Geometry & MOs

Info

ID:	296156
PubChem CID:	117558407
Reduced:	BrON3C14H14 (1)
Stoich.:	ABC3D14E14 (1)
Weight, g/mol:	238.085461
ΔH_f, kcal/mol:	9.3
Dipole, Da:	6.76
IP(EA), eV:	-8.78(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NC(=O)C2=NC=C(C=C2)CN)Br

DOS

IR

Vibrations