Geometry & MOs

Info

ID:	253979
PubChem CID:	103121954
Reduced:	ION4H5C9 (1)
Stoich.:	ABC4D5E9 (1)
Weight, g/mol:	312.94606
ΔH_f, kcal/mol:	121.3
Dipole, Da:	5.16
IP(EA), eV:	-9.34(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-iodo-5-pyrazolo[1,5-a]pyrazin-3-yl-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

C1=CC2=C(C=NN2C=C1)C3=NC(=NO3)I

DOS

IR

Vibrations