Geometry & MOs

Info

ID:	365997
PubChem CID:	127319302
Reduced:	ON4C14H18 (1)
Stoich.:	AB4C14D18 (1)
Weight, g/mol:	220.096026
ΔH_f, kcal/mol:	60.66
Dipole, Da:	4.75
IP(EA), eV:	-9.61(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC2CC1CC2CC3=NC(=NO3)CN4C=CC=N4

DOS

IR

Vibrations