Geometry & MOs

Info

ID:	254253
PubChem CID:	103123717
Reduced:	N5C12H13 (1)
Stoich.:	A5B12C13 (1)
Weight, g/mol:	242.127994
ΔH_f, kcal/mol:	101.58
Dipole, Da:	4.63
IP(EA), eV:	-8.7(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-tert-butyl-1,2,4-triazol-3-yl)pyrazolo[1,5-a]pyrazine

Drug info:

PubChemData

Smile

CC(C)N1C=NN=C1C2=C3C=CC=CN3N=C2

DOS

IR

Vibrations