Geometry & MOs

Info

ID:	374692
PubChem CID:	131342467
Reduced:	BrNH4O5C7 (1)
Stoich.:	ABC4D5E7 (1)
Weight, g/mol:	260.92728
ΔH_f, kcal/mol:	-95.22
Dipole, Da:	8.74
IP(EA), eV:	-10.61(-1.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-hydroxy-4-nitrobenzoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations