Geometry & MOs

Info

ID:	293765
PubChem CID:	117400782
Reduced:	BrO3C10H11 (1)
Stoich.:	AB3C10D11 (1)
Weight, g/mol:	257.98916
ΔH_f, kcal/mol:	-95.07
Dipole, Da:	1.49
IP(EA), eV:	-9.12(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-bromo-4-hydroxy-2-methylphenyl)propanoic acid

Drug info:

PubChemData

Smile

CC(CO)C1=C2C(=C(C=C1)Br)OCO2

DOS

IR

Vibrations