Geometry & MOs

Info

ID:	374340
PubChem CID:	131327054
Reduced:	BrO4C11H11 (1)
Stoich.:	AB4C11D11 (1)
Weight, g/mol:	329.93646
ΔH_f, kcal/mol:	-159.81
Dipole, Da:	2.14
IP(EA), eV:	-10.35(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(difluoromethyl)-2-fluoro-5-iodophenyl]acetic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1CCC(=O)O)CBr)C(=O)O

DOS

IR

Vibrations