Geometry & MOs

Info

ID:	293430
PubChem CID:	117388574
Reduced:	FO4C13H15 (1)
Stoich.:	AB4C13D15 (1)
Weight, g/mol:	254.095437
ΔH_f, kcal/mol:	-199.12
Dipole, Da:	6.57
IP(EA), eV:	-9.11(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(CC(=O)O)C1=C(C2=C(C=C1)OCCO2)F

DOS

IR

Vibrations