Geometry & MOs

Info

ID:	292718
PubChem CID:	117357422
Reduced:	FO4C12H15 (1)
Stoich.:	AB4C12D15 (1)
Weight, g/mol:	242.095437
ΔH_f, kcal/mol:	-207.33
Dipole, Da:	4.0
IP(EA), eV:	-9.22(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(5-ethyl-3-fluoro-2-methoxyphenyl)-2-hydroxyacetate

Drug info:

PubChemData

Smile

CCC1=C(C=C(C=C1OC)F)C(C(=O)OC)O

DOS

IR

Vibrations