Geometry & MOs

Info

ID:

412441

PubChem CID:

135085336

Reduced:

OSiN3C30H36 (1)

Stoich.:

ABC3D30E36 (1)

Weight, g/mol:

611.312632

ΔHf, kcal/mol:

26.33

Dipole, Da:

4.86

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.847047

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl-[diphenyl-[(5R)-2-(2-propan-2-ylphenyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-4-ium-5-yl]methoxy]-dimethylsilane;tetrafluoroborate

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)OC([C@H]1CCC2=NN(C=[N+]12)C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations