Geometry & MOs

Info

ID:	374341
PubChem CID:	131327088
Reduced:	IO2F3H6C9 (1)
Stoich.:	AB2C3D6E9 (1)
Weight, g/mol:	329.93646
ΔH_f, kcal/mol:	-199.8
Dipole, Da:	2.28
IP(EA), eV:	-10.11(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(difluoromethyl)-3-fluoro-2-iodophenyl]acetic acid

Drug info:

PubChemData

Smile

C1=C(C(=CC(=C1I)C(F)F)F)CC(=O)O

DOS

IR

Vibrations