Geometry & MOs

Info

ID:	79126
PubChem CID:	49746977
Reduced:	O3N6H14C19 (1)
Stoich.:	A3B6C14D19 (1)
Weight, g/mol:	308.102174
ΔH_f, kcal/mol:	113.02
Dipole, Da:	3.0
IP(EA), eV:	-9.67(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-pyridin-3-ylmethanone

Drug info:

PubChemData

Smile

C1C(CN1C(=O)C2=NOC(=C2)C3=CC=CC=C3)C4=NC(=NO4)C5=NC=CN=C5

DOS

IR

Vibrations