Geometry & MOs

Info

ID:

392051

PubChem CID:

135012287

Reduced:

NSiO5C25H37 (1)

Stoich.:

ABC5D25E37 (1)

Weight, g/mol:

460.251925

ΔHf, kcal/mol:

-210.97

Dipole, Da:

3.23

IP(EA), eV:

 -8.12(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

(2S,3R,9S,13bS)-3-[tert-butyl(dimethyl)silyl]oxy-2,11,12-trimethoxy-1,2,3,5,8,9-hexahydroindolo[7a,1-a]isoquinolin-7-ium-9-ol

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)O[C@@H]1C=C2CCN3[C@]2(C[C@@H]1OC)C4=CC(=C(C=C4C(=O)C3)OC)OC

DOS

IR

Vibrations