Geometry & MOs

Info

ID:	293905
PubChem CID:	117414483
Reduced:	F3O4C11H11 (1)
Stoich.:	A3B4C11D11 (1)
Weight, g/mol:	264.060943
ΔH_f, kcal/mol:	-292.19
Dipole, Da:	2.59
IP(EA), eV:	-9.6(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-(1,1-difluoroethyl)-3-fluoro-2-methoxyphenyl]-2-hydroxyacetic acid

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1F)C(F)F)C(C(=O)OC)O

DOS

IR

Vibrations