Geometry & MOs

Info

ID:	45724
PubChem CID:	10517046
Reduced:	OSiC18H22 (1)
Stoich.:	ABC18D22 (1)
Weight, g/mol:	282.21274
ΔH_f, kcal/mol:	-5.83
Dipole, Da:	3.63
IP(EA), eV:	-8.92(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2R,3S)-2-tert-butyl-3-[[tert-butyl(dimethyl)silyl]oxymethyl]aziridin-1-yl]acetonitrile

Drug info:

PubChemData

Smile

C[Si](C)(C)/C(=C/C1CCC(=O)C1)/C#CC2=CC=CC=C2

DOS

IR

Vibrations