Geometry & MOs

Info

ID:	292775
PubChem CID:	117358485
Reduced:	ClO4C11H11 (1)
Stoich.:	AB4C11D11 (1)
Weight, g/mol:	242.034586
ΔH_f, kcal/mol:	-146.15
Dipole, Da:	3.85
IP(EA), eV:	-9.7(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chloro-2-methoxy-3,5-dimethylphenyl)-2-oxoacetic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1OC)C)C(=O)C(=O)O)Cl

DOS

IR

Vibrations