Geometry & MOs

Info

ID:	168572
PubChem CID:	74989519
Reduced:	O9C25H28 (1)
Stoich.:	A9B25C28 (1)
Weight, g/mol:	462.168996
ΔH_f, kcal/mol:	-316.44
Dipole, Da:	0.93
IP(EA), eV:	-8.65(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(2-fluoroethoxy)-9-(3,4,5-trimethoxyphenyl)-5,5a,6,8,8a,9-hexahydro-[2]benzofuro[5,6-f][1,3]benzodioxol-5-ol

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)C2C3C(COC3CC(=O)OC)C(C4=CC5=C(C=C24)OCO5)O

DOS

IR

Vibrations