Geometry & MOs

Info

ID:	27794
PubChem CID:	823608
Reduced:	FON2H9C14 (1)
Stoich.:	ABC2D9E14 (1)
Weight, g/mol:	301.025419
ΔH_f, kcal/mol:	-6.59
Dipole, Da:	0.43
IP(EA), eV:	-9.46(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-(2-cyanophenyl)-3-nitrobenzamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations