Geometry & MOs

Info

ID:	79064
PubChem CID:	49746646
Reduced:	OSN3H17C20 (1)
Stoich.:	ABC3D17E20 (1)
Weight, g/mol:	298.088832
ΔH_f, kcal/mol:	116.55
Dipole, Da:	2.74
IP(EA), eV:	-8.85(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[1-(pyridin-3-ylmethyl)azetidin-3-yl]-3-thiophen-2-yl-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

C1C(CN1CC2=CC=CC3=CC=CC=C32)C4=NC(=NO4)C5=CC=CS5

DOS

IR

Vibrations