Geometry & MOs

Info

ID:	46792
PubChem CID:	10527372
Reduced:	SiN2O4C24H38 (1)
Stoich.:	AB2C4D24E38 (1)
Weight, g/mol:	446.250188
ΔH_f, kcal/mol:	-213.01
Dipole, Da:	4.34
IP(EA), eV:	-9.01(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl-diphenyl-[[(2R,4S,5R)-5-(1,2,4-triazol-1-yl)-1-azabicyclo[2.2.2]octan-2-yl]methoxy]silane

Drug info:

PubChemData

Smile

C[C@@H]([C@@H]1[C@H](C(=O)N1)N2[C@H](COC2=O)CC3=CC=CC=C3)O[Si](C(C)C)(C(C)C)C(C)C

DOS

IR

Vibrations