Geometry & MOs

Info

ID:	220815
PubChem CID:	85240099
Reduced:	ON3C16H23 (1)
Stoich.:	AB3C16D23 (1)
Weight, g/mol:	273.17602
ΔH_f, kcal/mol:	-31.58
Dipole, Da:	8.4
IP(EA), eV:	-8.87(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazol-2-yl]methanol

Drug info:

PubChemData

Smile

CC(=C1CC(C(=O)N1)(C)C)C2=NC(CC2(C)C)(C)C#N

DOS

IR

Vibrations