Geometry & MOs

Info

ID:	292796
PubChem CID:	117358947
Reduced:	ClO2C13H19 (1)
Stoich.:	AB2C13D19 (1)
Weight, g/mol:	241.95786
ΔH_f, kcal/mol:	-108.49
Dipole, Da:	3.06
IP(EA), eV:	-8.81(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-bromo-4-methylphenyl)-2-oxoacetic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations