Geometry & MOs

Info

ID:	295012
PubChem CID:	117511625
Reduced:	BrO5C13H15 (1)
Stoich.:	AB5C13D15 (1)
Weight, g/mol:	330.01029
ΔH_f, kcal/mol:	-173.14
Dipole, Da:	3.4
IP(EA), eV:	-9.4(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(6-bromo-4-formyl-2,3-dimethoxyphenyl)-2-methylpropanoic acid

Drug info:

PubChemData

Smile

CCOC(=O)C(=O)C1=C(C=C(C(=C1C)OC)OC)Br

DOS

IR

Vibrations