Geometry & MOs

Info

ID:

393915

PubChem CID:

135021954

Reduced:

Si6O11C30H70 (1)

Stoich.:

A6B11C30D70 (1)

Weight, g/mol:

765.451895

ΔHf, kcal/mol:

-821.11

Dipole, Da:

0.58

IP(EA), eV:

 -9.4(0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[6-[5,6-bis(4-tert-butylphenyl)-1,2,4-triazin-3-yl]pyridin-2-yl]-5,6-bis(4-tert-butylphenyl)-1,2,4-triazine

Drug info:

PubChemData

Smile

C[Si](C)(C)O[C@@H]1C(O[C@@H](C(C1O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H]2C(C([C@@H](C(O2)CO)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)CO

DOS

IR

Vibrations