Geometry & MOs

Info

ID:	254032
PubChem CID:	103122325
Reduced:	OH7N7C8 (1)
Stoich.:	AB7C7D8 (1)
Weight, g/mol:	272.102174
ΔH_f, kcal/mol:	135.57
Dipole, Da:	6.97
IP(EA), eV:	-9.93(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-methyl-5-pyrazolo[1,5-a]pyrazin-3-yl-1,2,4-triazole-3-carboxylate

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C2=NC(=NO2)C3=NC=NN3

DOS

IR

Vibrations