Geometry & MOs

Info

ID:

45140

PubChem CID:

10508320

Reduced:

N2Si2O3C37H60 (1)

Stoich.:

A2B2C3D37E60 (1)

Weight, g/mol:

640.306293

ΔHf, kcal/mol:

-215.68

Dipole, Da:

0.96

IP(EA), eV:

 -8.74(0.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-methyl-2-propyl-5-[[4-[2-(1-trityltetrazol-5-yl)phenyl]phenyl]methyl]pyrazolo[1,5-b][1,2,4]triazole

Drug info:

PubChemData

Smile

C[C@@H]([C@@H](C1=CC=CC=C1)O[Si](C)(C)C(C)(C)C)N2CC3CN(CC(C2)C3=O)[C@@H](C)[C@@H](C4=CC=CC=C4)O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations