Geometry & MOs

Info

ID:

382388

PubChem CID:

134973517

Reduced:

SiO4C22H36 (1)

Stoich.:

AB4C22D36 (1)

Weight, g/mol:

518.278072

ΔHf, kcal/mol:

-237.94

Dipole, Da:

2.42

IP(EA), eV:

 -8.99(-0.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (3aS,11bR)-3-benzyl-4-[2-(1,3-dioxolan-2-yl)-4-methoxybutyl]-1,2,3a,4,5,7-hexahydropyrrolo[2,3-d]carbazole-6-carboxylate

Drug info:

PubChemData

Smile

C[C@H]([C@@H]1[C@H](OC(O1)(C)C)C2=CC=CC=C2)[C@H](CC=O)O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations