Geometry & MOs

Info

ID:	292726
PubChem CID:	117357469
Reduced:	FO4C12H15 (1)
Stoich.:	AB4C12D15 (1)
Weight, g/mol:	242.095437
ΔH_f, kcal/mol:	-203.68
Dipole, Da:	2.75
IP(EA), eV:	-8.88(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-fluoro-2,3-dimethoxy-6-methylphenyl)propanoic acid

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1CCC(=O)O)CF)OC

DOS

IR

Vibrations