Geometry & MOs

Info

ID:	197414
PubChem CID:	78965633
Reduced:	ClON3H10C14 (1)
Stoich.:	ABC3D10E14 (1)
Weight, g/mol:	251.105862
ΔH_f, kcal/mol:	31.43
Dipole, Da:	7.11
IP(EA), eV:	-8.79(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-amino-4-cyanophenyl)-4-methylbenzamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(=O)NC2=C(C=C(C=C2)C#N)N)Cl

DOS

IR

Vibrations