Geometry & MOs

Info

ID:	374691
PubChem CID:	131342462
Reduced:	BrNF2O3H4C7 (1)
Stoich.:	ABC2D3E4F7 (1)
Weight, g/mol:	260.92728
ΔH_f, kcal/mol:	-124.85
Dipole, Da:	4.0
IP(EA), eV:	-10.09(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-2-hydroxy-6-nitrobenzoic acid

Drug info:

PubChemData

Smile

C1=C(C=C(C(=C1C(F)F)Br)[N+](=O)[O-])O

DOS

IR

Vibrations