Geometry & MOs

Info

ID:	79112
PubChem CID:	49746815
Reduced:	ON3H9C10 (2)
Stoich.:	AB3C9D10 (2)
Weight, g/mol:	339.078996
ΔH_f, kcal/mol:	91.19
Dipole, Da:	3.88
IP(EA), eV:	-8.45(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-[3-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-3-thiophen-2-ylprop-2-en-1-one

Drug info:

PubChemData

Smile

CN1C=C(C2=CC=CC=C21)CC(=O)N3CC(C3)C4=NC(=NO4)C5=NC=CN=C5

DOS

IR

Vibrations