Geometry & MOs

Info

ID:	292787
PubChem CID:	117358829
Reduced:	ClO3C12H15 (1)
Stoich.:	AB3C12D15 (1)
Weight, g/mol:	242.070972
ΔH_f, kcal/mol:	-146.47
Dipole, Da:	5.53
IP(EA), eV:	-9.38(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-chloro-2-(methoxymethyl)phenyl]-2-methylpropanoic acid

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1)C(C)(C)CC(=O)O)O)Cl

DOS

IR

Vibrations