Geometry & MOs

Info

ID:	293429
PubChem CID:	117388572
Reduced:	FO4C13H15 (1)
Stoich.:	AB4C13D15 (1)
Weight, g/mol:	254.095437
ΔH_f, kcal/mol:	-222.62
Dipole, Da:	8.79
IP(EA), eV:	-9.82(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1F)C(C)(C)CC(=O)O)C(=O)O

DOS

IR

Vibrations