Geometry & MOs

Info

ID:	294476
PubChem CID:	117462879
Reduced:	BrO3C12H15 (1)
Stoich.:	AB3C12D15 (1)
Weight, g/mol:	286.02046
ΔH_f, kcal/mol:	-119.2
Dipole, Da:	4.71
IP(EA), eV:	-8.76(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-bromo-2-hydroxy-4,6-dimethylphenyl)-2-methylpropanoic acid

Drug info:

PubChemData

Smile

CC1=C(C(=CC2=C1OCCO2)CC(C)O)Br

DOS

IR

Vibrations