Geometry & MOs

Info

ID:	295014
PubChem CID:	117511680
Reduced:	BrO5C13H15 (1)
Stoich.:	AB5C13D15 (1)
Weight, g/mol:	330.04667
ΔH_f, kcal/mol:	-161.42
Dipole, Da:	4.79
IP(EA), eV:	-8.96(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-bromo-2-methoxy-6-(methoxymethyl)phenyl]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

COC1=C(C=C(C(=C1)C(C(=O)O)O)Br)OCC2CC2

DOS

IR

Vibrations