Geometry & MOs

Info

ID:	293585
PubChem CID:	117393933
Reduced:	FO4C13H17 (1)
Stoich.:	AB4C13D17 (1)
Weight, g/mol:	256.111087
ΔH_f, kcal/mol:	-214.28
Dipole, Da:	4.55
IP(EA), eV:	-9.19(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1O)OC)F)C(C)(C)CC(=O)O

DOS

IR

Vibrations