Geometry & MOs

Info

ID:	293854
PubChem CID:	117405994
Reduced:	ClO5C11H13 (1)
Stoich.:	AB5C11D13 (1)
Weight, g/mol:	260.06155
ΔH_f, kcal/mol:	-223.66
Dipole, Da:	3.75
IP(EA), eV:	-8.69(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-chloro-2-fluoro-4-methoxyphenyl)-2,2-dimethylpropanoic acid

Drug info:

PubChemData

Smile

CC(C)(CC1=C(C(=CC(=C1Cl)O)O)O)C(=O)O

DOS

IR

Vibrations