Geometry & MOs

Info

ID:	371700
PubChem CID:	131270707
Reduced:	BrINOH3F4C7 (1)
Stoich.:	ABCDE3F4G7 (1)
Weight, g/mol:	292.93351
ΔH_f, kcal/mol:	-197.33
Dipole, Da:	2.43
IP(EA), eV:	-10.14(-1.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-bromo-5-fluoro-3-nitrophenyl)-2-hydroxyacetic acid

Drug info:

PubChemData

Smile

C1=C(C(=C(N=C1I)OC(F)(F)F)CBr)F

DOS

IR

Vibrations