Geometry & MOs

Info

ID:	366009
PubChem CID:	127319314
Reduced:	O2N5C13H13 (1)
Stoich.:	A2B5C13D13 (1)
Weight, g/mol:	220.096026
ΔH_f, kcal/mol:	89.2
Dipole, Da:	4.4
IP(EA), eV:	-9.68(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(oxolan-2-yl)-3-(pyrazol-1-ylmethyl)-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C(=NO2)C3=NC(=NO3)CN4C=CC=N4

DOS

IR

Vibrations