Geometry & MOs

Info

ID:	292682
PubChem CID:	117356975
Reduced:	FO5C11H11 (1)
Stoich.:	AB5C11D11 (1)
Weight, g/mol:	242.059052
ΔH_f, kcal/mol:	-223.15
Dipole, Da:	4.18
IP(EA), eV:	-9.77(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(7-fluoro-1,3-benzodioxol-4-yl)-2-hydroxyacetate

Drug info:

PubChemData

Smile

CCOC(=O)C(=O)C1=C(C(=C(C=C1)OC)F)O

DOS

IR

Vibrations