Geometry & MOs

Info

ID:	143197
PubChem CID:	53162605
Reduced:	O2N4C21H24 (1)
Stoich.:	A2B4C21D24 (1)
Weight, g/mol:	345.162332
ΔH_f, kcal/mol:	27.82
Dipole, Da:	3.67
IP(EA), eV:	-8.49(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(6-piperidin-1-ylpyridin-3-yl)-5-(thiomorpholin-4-ylmethyl)-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)OCC2=NC(=NO2)C3=CN=C(C=C3)N4CCCCCC4

DOS

IR

Vibrations