Geometry & MOs

Info

ID:

168571

PubChem CID:

74989518

Reduced:

Cl4O4N5C38H49 (1)

Stoich.:

A4B4C5D38E49 (1)

Weight, g/mol:

472.173332

ΔHf, kcal/mol:

-141.72

Dipole, Da:

9.84

IP(EA), eV:

 -8.48(-0.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 2-[5-hydroxy-9-(3,4,5-trimethoxyphenyl)-5,5a,6,8,8a,9-hexahydro-[2]benzofuro[5,6-f][1,3]benzodioxol-8-yl]acetate

Drug info:

PubChemData

Smile

CN1CCC(CC1)C(=O)CC2CCCN(C2=O)C3CCN(CC3)CCC(C4=CC(=C(C=C4)Cl)Cl)C(=NOC)CN(C)C(=O)C5=CC(=CC(=C5)Cl)Cl

DOS

IR

Vibrations