Geometry & MOs

Info

ID:

384307

PubChem CID:

134976733

Reduced:

Si4O9C50H90 (1)

Stoich.:

A4B9C50D90 (1)

Weight, g/mol:

1245.614543

ΔHf, kcal/mol:

-472.34

Dipole, Da:

2.18

IP(EA), eV:

 -8.71(0.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[[4-[2-[11-[4-[3,5-bis[4-[11-[2-[4-(diethylaminodiazenyl)phenyl]ethynyl]-10-tricyclo[4.3.2.01,6]undeca-2,4,10-trienyl]buta-1,3-diynyl]phenyl]buta-1,3-diynyl]-10-tricyclo[4.3.2.01,6]undeca-2,4,10-trienyl]ethynyl]phenyl]diazenyl]-N-ethylethanamine

Drug info:

PubChemData

Smile

CC(C)[Si](C(C)C)(C(C)C)OC#C[C@@H]1[C@H](O[C@H]([C@@H]([C@H]1O)O[Si](C(C)C)(C(C)C)C(C)C)C#CC#C[C@H]2[C@@H](O[C@@H]([C@H]([C@@H]2O)O[Si](C(C)C)(C(C)C)C(C)C)C#C[Si](C)(C)C)CO)CO

DOS

IR

Vibrations