Geometry & MOs

Info

ID:	199906
PubChem CID:	79316542
Reduced:	ON6C13H22 (1)
Stoich.:	AB6C13D22 (1)
Weight, g/mol:	234.122909
ΔH_f, kcal/mol:	22.86
Dipole, Da:	2.54
IP(EA), eV:	-8.6(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[1-(azetidin-3-yl)triazol-4-yl]-3-propyl-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CN1CCCC(C1)CNC(=O)C2=CN(N=N2)C3CNC3

DOS

IR

Vibrations