Geometry & MOs

Info

ID:	295163
PubChem CID:	117519508
Reduced:	BrO5C15H19 (1)
Stoich.:	AB5C15D19 (1)
Weight, g/mol:	358.04159
ΔH_f, kcal/mol:	-169.77
Dipole, Da:	4.92
IP(EA), eV:	-8.57(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(5-bromo-6-propan-2-yl-2,3-dihydro-1,4-benzodioxin-7-yl)-2-hydroxyacetate

Drug info:

PubChemData

Smile

COC1=CC(=C(C(=C1C(CC(=O)O)C2CC2)Br)OC)OC

DOS

IR

Vibrations