Geometry & MOs

Info

ID:	294477
PubChem CID:	117463118
Reduced:	BrO3C12H15 (1)
Stoich.:	AB3C12D15 (1)
Weight, g/mol:	286.02046
ΔH_f, kcal/mol:	-139.91
Dipole, Da:	5.48
IP(EA), eV:	-9.32(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1CC(C)C(=O)O)O)Br)C

DOS

IR

Vibrations