Geometry & MOs

Info

ID:	35960
PubChem CID:	7980557
Reduced:	ClN2O5H13C19 (1)
Stoich.:	AB2C5D13E19 (1)
Weight, g/mol:	354.98694
ΔH_f, kcal/mol:	-74.33
Dipole, Da:	2.59
IP(EA), eV:	-9.33(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-fluoro-2-methylphenyl)-4-iodobenzamide

Drug info:

PubChemData

Smile

C1=CC=C2C=C(C=CC2=C1)C(=O)OCC(=O)NC3=C(C=CC(=C3)Cl)[N+](=O)[O-]

DOS

IR

Vibrations