Geometry & MOs

Info

ID:	293753
PubChem CID:	117400477
Reduced:	ClO4C12H15 (1)
Stoich.:	AB4C12D15 (1)
Weight, g/mol:	258.065887
ΔH_f, kcal/mol:	-168.7
Dipole, Da:	8.99
IP(EA), eV:	-8.92(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC(=C(C=C1C(C)C(=O)O)Cl)OC

DOS

IR

Vibrations