Geometry & MOs

Info

ID:	293754
PubChem CID:	117400499
Reduced:	ClO4C12H15 (1)
Stoich.:	AB4C12D15 (1)
Weight, g/mol:	258.065887
ΔH_f, kcal/mol:	-170.11
Dipole, Da:	6.03
IP(EA), eV:	-8.58(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(6-chloro-2-hydroxy-3-methoxyphenyl)-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC(C)(CC(=O)O)C1=C(C(=C(C=C1)Cl)OC)O

DOS

IR

Vibrations