Geometry & MOs

Info

ID:	254030
PubChem CID:	103122315
Reduced:	ON3C12H13 (1)
Stoich.:	AB3C12D13 (1)
Weight, g/mol:	254.066457
ΔH_f, kcal/mol:	46.14
Dipole, Da:	2.38
IP(EA), eV:	-8.96(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-pyrazolo[1,5-a]pyrazin-3-yl-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

C1CC2C(C1)C2(C3=C4C=NC=CN4N=C3)O

DOS

IR

Vibrations