Geometry & MOs

Info

ID:	136809
PubChem CID:	52105004
Reduced:	N3O3C16H25 (1)
Stoich.:	A3B3C16D25 (1)
Weight, g/mol:	307.189592
ΔH_f, kcal/mol:	-93.77
Dipole, Da:	3.9
IP(EA), eV:	-9.53(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-2-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-[(2S)-oxolan-2-yl]methanone

Drug info:

PubChemData

Smile

CC(C)CC1=NOC(=N1)[C@@H]2CCCCN2C(=O)[C@@H]3CCCO3

DOS

IR

Vibrations