Geometry & MOs

Info

ID:	293588
PubChem CID:	117393944
Reduced:	FO4C13H17 (1)
Stoich.:	AB4C13D17 (1)
Weight, g/mol:	256.111087
ΔH_f, kcal/mol:	-207.4
Dipole, Da:	4.46
IP(EA), eV:	-8.78(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-fluoro-2,3-dimethoxyphenyl)-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC(C)(CC(=O)O)C1=CC(=C(C=C1OC)F)OC

DOS

IR

Vibrations