Geometry & MOs

Info

ID:	277973
PubChem CID:	103832306
Reduced:	SO3N4C12H14 (1)
Stoich.:	AB3C4D12E14 (1)
Weight, g/mol:	257.152812
ΔH_f, kcal/mol:	42.33
Dipole, Da:	4.99
IP(EA), eV:	-8.88(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-phenylethyl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CSCC[C@@H](C1=NC(=NO1)C2=CC(=CC=C2)[N+](=O)[O-])N

DOS

IR

Vibrations