Geometry & MOs

Info

ID:	295037
PubChem CID:	117512508
Reduced:	BrO5C13H17 (1)
Stoich.:	AB5C13D17 (1)
Weight, g/mol:	332.02594
ΔH_f, kcal/mol:	-183.39
Dipole, Da:	4.71
IP(EA), eV:	-8.65(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(5-bromo-2-ethyl-3,4-dimethoxyphenyl)-2-hydroxyacetate

Drug info:

PubChemData

Smile

CC(CC1=CC(=C(C(=C1OC)Br)OC)OC)C(=O)O

DOS

IR

Vibrations