Geometry & MOs

Info

ID:	292776
PubChem CID:	117358497
Reduced:	ClO4C11H11 (1)
Stoich.:	AB4C11D11 (1)
Weight, g/mol:	242.034586
ΔH_f, kcal/mol:	-147.0
Dipole, Da:	2.75
IP(EA), eV:	-9.64(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-chloro-2-methoxy-5,6-dimethylphenyl)-2-oxoacetic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1Cl)C)OC)C(=O)C(=O)O

DOS

IR

Vibrations