Geometry & MOs

Info

ID:

1789

PubChem CID:

5052

Reduced:

N2O9C33H40 (1)

Stoich.:

A2B9C33D40 (1)

Weight, g/mol:

608.273381

ΔHf, kcal/mol:

-311.27

Dipole, Da:

6.86

IP(EA), eV:

 -7.91(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 6,18-dimethoxy-17-(3,4,5-trimethoxybenzoyl)oxy-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)C6=CC(=C(C(=C6)OC)OC)OC

DOS

IR

Vibrations