Geometry & MOs

Info

ID:	292708
PubChem CID:	117357304
Reduced:	FO4C12H15 (1)
Stoich.:	AB4C12D15 (1)
Weight, g/mol:	242.095437
ΔH_f, kcal/mol:	-208.11
Dipole, Da:	4.16
IP(EA), eV:	-9.09(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(CC1=C(C(=C(C=C1)OC)F)O)C(=O)O

DOS

IR

Vibrations