Geometry & MOs

Info

ID:	371701
PubChem CID:	131270719
Reduced:	BrFNH5O5C8 (1)
Stoich.:	ABCD5E5F8 (1)
Weight, g/mol:	292.93351
ΔH_f, kcal/mol:	-148.8
Dipole, Da:	1.3
IP(EA), eV:	-10.87(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-bromo-4-fluoro-2-nitrophenyl)-2-hydroxyacetic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations