Geometry & MOs

Info

ID:	143823
PubChem CID:	53267295
Reduced:	BrClFNO3H20C24 (1)
Stoich.:	ABCDE3F20G24 (1)
Weight, g/mol:	396.97096
ΔH_f, kcal/mol:	-89.36
Dipole, Da:	5.42
IP(EA), eV:	-8.8(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromo-2-fluorophenyl)-4-methyl-3,5-dinitrobenzamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Cl)NC(=O)/C=C/C2=CC(=C(C(=C2)Br)OCC3=CC=CC=C3F)OC

DOS

IR

Vibrations