Geometry & MOs

Info

ID:	267999
PubChem CID:	103594731
Reduced:	OSN4C14H18 (1)
Stoich.:	ABC4D14E18 (1)
Weight, g/mol:	310.182733
ΔH_f, kcal/mol:	45.4
Dipole, Da:	1.74
IP(EA), eV:	-8.47(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methylthiomorpholin-3-yl)-5-(4-propylpiperidin-4-yl)-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N)C2=NC(=NO2)C3CSCCN3C

DOS

IR

Vibrations