Geometry & MOs

Info

ID:	136808
PubChem CID:	52104791
Reduced:	O2N5C17H26 (1)
Stoich.:	A2B5C17D26 (1)
Weight, g/mol:	307.189592
ΔH_f, kcal/mol:	-23.37
Dipole, Da:	5.86
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752381
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[NH+]1CCN(CC1)C2=NC=C3C(=N2)CN(C3=O)C[C@@H]4CCCO4

DOS

IR

Vibrations