Geometry & MOs

Info

ID:	373014
PubChem CID:	131308582
Reduced:	BrOC8H9 (1)
Stoich.:	ABC8D9 (1)
Weight, g/mol:	229.038651
ΔH_f, kcal/mol:	-12.31
Dipole, Da:	3.93
IP(EA), eV:	-9.24(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(=C(CC=O)Br)C=C1

DOS

IR

Vibrations