Geometry & MOs

Info

ID:	293587
PubChem CID:	117393940
Reduced:	FO4C13H17 (1)
Stoich.:	AB4C13D17 (1)
Weight, g/mol:	256.111087
ΔH_f, kcal/mol:	-214.93
Dipole, Da:	4.23
IP(EA), eV:	-9.45(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-fluoro-2,5-dimethoxyphenyl)-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1C(C)(C)CC(=O)O)O)OC)F

DOS

IR

Vibrations