Geometry & MOs

Info

ID:	294747
PubChem CID:	117487930
Reduced:	BrO4C12H15 (1)
Stoich.:	AB4C12D15 (1)
Weight, g/mol:	302.01537
ΔH_f, kcal/mol:	-152.27
Dipole, Da:	7.46
IP(EA), eV:	-8.84(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-bromo-2-hydroxy-5-methoxyphenyl)-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC1=C(C(=CC(=C1C(C)C(=O)O)Br)OC)OC

DOS

IR

Vibrations