Geometry & MOs

Info

ID:	1678
PubChem CID:	4865
Reduced:	O4C11H11 (2)
Stoich.:	A4B11C11 (2)
Weight, g/mol:	414.131468
ΔH_f, kcal/mol:	-260.02
Dipole, Da:	3.69
IP(EA), eV:	-8.74(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)O

DOS

IR

Vibrations