Geometry & MOs

Info

ID:	292786
PubChem CID:	117358761
Reduced:	ClO3C12H15 (1)
Stoich.:	AB3C12D15 (1)
Weight, g/mol:	242.070972
ΔH_f, kcal/mol:	-122.7
Dipole, Da:	2.63
IP(EA), eV:	-8.29(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-chloro-2-hydroxy-4-methylphenyl)-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC(CC1=CC(=C2C(=C1Cl)CCO2)OC)O

DOS

IR

Vibrations