Geometry & MOs

Info

ID:	295164
PubChem CID:	117519533
Reduced:	BrO5C15H19 (1)
Stoich.:	AB5C15D19 (1)
Weight, g/mol:	358.07797
ΔH_f, kcal/mol:	-199.24
Dipole, Da:	2.37
IP(EA), eV:	-8.96(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-bromo-3,4-dimethoxy-2-propan-2-ylphenyl)-2,2-dimethylpropanoic acid

Drug info:

PubChemData

Smile

CCOC(=O)C(C1=CC2=C(C(=C1C(C)C)Br)OCCO2)O

DOS

IR

Vibrations