Geometry & MOs

Info

ID:	292685
PubChem CID:	117357006
Reduced:	FO5C11H11 (1)
Stoich.:	AB5C11D11 (1)
Weight, g/mol:	242.059052
ΔH_f, kcal/mol:	-224.63
Dipole, Da:	3.37
IP(EA), eV:	-9.17(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(6-fluoro-4H-1,3-benzodioxin-8-yl)-2-hydroxyacetate

Drug info:

PubChemData

Smile

COC(=O)C(C1=C(C=CC2=C1OCCO2)F)O

DOS

IR

Vibrations