Geometry & MOs

Info

ID:	79137
PubChem CID:	49747048
Reduced:	O2F3N5H14C17 (1)
Stoich.:	A2B3C5D14E17 (1)
Weight, g/mol:	231.11201
ΔH_f, kcal/mol:	-82.05
Dipole, Da:	3.77
IP(EA), eV:	-9.65(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1-ethylazetidin-3-yl)-3-pyrazin-2-yl-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

C1C(CN1CC2=CC=C(C=C2)OC(F)(F)F)C3=NC(=NO3)C4=NC=CN=C4

DOS

IR

Vibrations