Geometry & MOs

Info

ID:	294193
PubChem CID:	117434401
Reduced:	ClFO3C13H14 (1)
Stoich.:	ABC3D13E14 (1)
Weight, g/mol:	272.06155
ΔH_f, kcal/mol:	-150.85
Dipole, Da:	6.51
IP(EA), eV:	-9.19(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-chloro-5-fluoro-4-methoxyphenyl)-3-cyclopropylpropanoic acid

Drug info:

PubChemData

Smile

COC1=C(C(=C(C=C1)Cl)F)C(CC(=O)O)C2CC2

DOS

IR

Vibrations