Geometry & MOs

Info

ID:	292724
PubChem CID:	117357461
Reduced:	FO4C12H15 (1)
Stoich.:	AB4C12D15 (1)
Weight, g/mol:	242.095437
ΔH_f, kcal/mol:	-202.43
Dipole, Da:	4.4
IP(EA), eV:	-9.34(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COCC1=C(C=CC(=C1OC)CCC(=O)O)F

DOS

IR

Vibrations