Geometry & MOs

Info

ID:	294463
PubChem CID:	117462347
Reduced:	ClO5C13H15 (1)
Stoich.:	AB5C13D15 (1)
Weight, g/mol:	286.0772
ΔH_f, kcal/mol:	-208.46
Dipole, Da:	4.46
IP(EA), eV:	-8.91(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-chloro-3-fluoro-2-methoxy-6-methylphenyl)-3-cyclopropylpropanoic acid

Drug info:

PubChemData

Smile

CC(C)(CC(=O)O)C1=C2C(=CC(=C1O)Cl)OCCO2

DOS

IR

Vibrations