Geometry & MOs

Info

ID:

395468

PubChem CID:

135025539

Reduced:

N2O2Si2C39H67 (1)

Stoich.:

A2B2C2D39E67 (1)

Weight, g/mol:

470.203451

ΔHf, kcal/mol:

-191.12

Dipole, Da:

2.47

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.763532

Charge, e:

 0

Chem-info

IUPAC name:

3-methylheptacyclo[20.2.2.22,5.26,9.210,13.214,17.218,21]hexatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35-octadecaene

Drug info:

PubChemData

Smile

C[C@H](CN1C=[N+]([C@H]([C@@H]1C2=CC=CC=C2)C3=CC=CC=C3)C[C@@H](C)O[Si](C(C)C)(C(C)C)C(C)C)O[Si](C(C)C)(C(C)C)C(C)C

DOS

IR

Vibrations