Geometry & MOs

Info

ID:	270973
PubChem CID:	103639041
Reduced:	BrN3O3H12C13 (1)
Stoich.:	AB3C3D12E13 (1)
Weight, g/mol:	386.90927
ΔH_f, kcal/mol:	-3.16
Dipole, Da:	3.65
IP(EA), eV:	-9.61(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-(3-bromo-2-methylphenyl)-5-fluorobenzamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1Br)NC(=O)C2=CC(=CN2C)[N+](=O)[O-]

DOS

IR

Vibrations