Geometry & MOs

Info

ID:	79133
PubChem CID:	49747044
Reduced:	ON6H14C17 (1)
Stoich.:	AB6C14D17 (1)
Weight, g/mol:	335.138225
ΔH_f, kcal/mol:	154.32
Dipole, Da:	6.48
IP(EA), eV:	-9.78(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)azetidin-3-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

C1C(CN1CC2=CC(=CC=C2)C#N)C3=NC(=NO3)C4=NC=CN=C4

DOS

IR

Vibrations