Geometry & MOs

Info

ID:	219656
PubChem CID:	85164356
Reduced:	OSiBr2C26H28 (1)
Stoich.:	ABC2D26E28 (1)
Weight, g/mol:	544.212859
ΔH_f, kcal/mol:	-38.22
Dipole, Da:	2.51
IP(EA), eV:	-9.09(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-(3,4,5-trimethoxyphenyl)-5-(2-trimethylsilylethoxymethoxy)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OC3CC(C(C4=CC=CC=C34)Br)Br

DOS

IR

Vibrations