Geometry & MOs

Info

ID:	294524
PubChem CID:	117467064
Reduced:	BrO3C12H17 (1)
Stoich.:	AB3C12D17 (1)
Weight, g/mol:	287.98196
ΔH_f, kcal/mol:	-112.59
Dipole, Da:	2.79
IP(EA), eV:	-8.6(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-bromo-6-methylsulfanylphenyl)-2-methylpropanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1OC)Br)OC)C(C)CO

DOS

IR

Vibrations