Geometry & MOs

Info

ID:	292723
PubChem CID:	117357455
Reduced:	FO4C12H15 (1)
Stoich.:	AB4C12D15 (1)
Weight, g/mol:	242.095437
ΔH_f, kcal/mol:	-197.55
Dipole, Da:	6.38
IP(EA), eV:	-9.13(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-fluoro-2-methoxy-3-(methoxymethyl)phenyl]propanoic acid

Drug info:

PubChemData

Smile

COCC1=C(C(=C(C=C1)CCC(=O)O)OC)F

DOS

IR

Vibrations