Geometry & MOs

Info

ID:	22212
PubChem CID:	596292
Reduced:	BrFN2O3H10C14 (1)
Stoich.:	ABC2D3E10F14 (1)
Weight, g/mol:	351.98588
ΔH_f, kcal/mol:	-46.67
Dipole, Da:	2.6
IP(EA), eV:	-9.44(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromo-2-fluorophenyl)-3-methyl-4-nitrobenzamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=C(C=C(C=C2)Br)F)[N+](=O)[O-]

DOS

IR

Vibrations