Geometry & MOs

Info

ID:

412442

PubChem CID:

135085337

Reduced:

BOSiN3F4C33H42 (1)

Stoich.:

ABCD3E4F33G42 (1)

Weight, g/mol:

524.309715

ΔHf, kcal/mol:

-343.72

Dipole, Da:

24.62

IP(EA), eV:

 -9.64(-1.95)

Spin(Sz, S2):

 None, None

Charge, e:

 1

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

Drug info:

PubChemData

Smile

[B-](F)(F)(F)F.CC(C)C1=CC=CC=C1N2C=[N+]3[C@H](CCC3=N2)C(C4=CC=CC=C4)(C5=CC=CC=C5)O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations