Geometry & MOs

Info

ID:	292686
PubChem CID:	117357008
Reduced:	FO5C11H11 (1)
Stoich.:	AB5C11D11 (1)
Weight, g/mol:	242.059052
ΔH_f, kcal/mol:	-232.27
Dipole, Da:	2.34
IP(EA), eV:	-9.45(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-fluoro-6-hydroxy-1,3-benzodioxol-4-yl)-2-methylpropanoic acid

Drug info:

PubChemData

Smile

COC(=O)C(C1=CC(=CC2=C1OCOC2)F)O

DOS

IR

Vibrations