Geometry & MOs

Info

ID:

1788

PubChem CID:

5051

Reduced:

N2O9C35H42 (1)

Stoich.:

A2B9C35D42 (1)

Weight, g/mol:

634.289031

ΔHf, kcal/mol:

-298.5

Dipole, Da:

6.55

IP(EA), eV:

 -7.97(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 6,18-dimethoxy-17-[3-(3,4,5-trimethoxyphenyl)prop-2-enoyloxy]-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate

Drug info:

PubChemData

Smile

COC1C(CC2CN3CCC4=C(C3CC2C1C(=O)OC)NC5=C4C=CC(=C5)OC)OC(=O)C=CC6=CC(=C(C(=C6)OC)OC)OC

DOS

IR

Vibrations