Geometry & MOs

Info

ID:	295101
PubChem CID:	117517358
Reduced:	BrO5C14H19 (1)
Stoich.:	AB5C14D19 (1)
Weight, g/mol:	346.04159
ΔH_f, kcal/mol:	-201.49
Dipole, Da:	4.68
IP(EA), eV:	-8.65(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(5-bromo-3,4-dimethoxy-2-propan-2-ylphenyl)-2-hydroxyacetate

Drug info:

PubChemData

Smile

CCOC(=O)C(C1=CC(=C(C=C1Br)OC)OC(C)C)O

DOS

IR

Vibrations