Geometry & MOs

Info

ID:	292725
PubChem CID:	117357465
Reduced:	FO4C12H15 (1)
Stoich.:	AB4C12D15 (1)
Weight, g/mol:	242.095437
ΔH_f, kcal/mol:	-197.87
Dipole, Da:	4.83
IP(EA), eV:	-8.56(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-(fluoromethyl)-2,4-dimethoxyphenyl]propanoic acid

Drug info:

PubChemData

Smile

COC1=C(C=C(C(=C1)CCC(=O)O)CF)OC

DOS

IR

Vibrations