Geometry & MOs

Info

ID:	294202
PubChem CID:	117435052
Reduced:	BrO3C11H13 (1)
Stoich.:	AB3C11D13 (1)
Weight, g/mol:	272.00481
ΔH_f, kcal/mol:	-104.19
Dipole, Da:	2.76
IP(EA), eV:	-9.04(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-bromo-4-hydroxyphenyl)-2,2-dimethylpropanoic acid

Drug info:

PubChemData

Smile

CC(CO)C1=C2C(=C(C=C1)Br)OCCO2

DOS

IR

Vibrations