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January 28, 2026
C5H7N3O
Datos Químicos de C5H7N3O
ID
129775
Molecular Scaffold
dnE@@@aJYhffjjL`OxSLk@
Molecular Formula
C5H7N3O
Elemental Composition %
C: 31.25%
H: 43.75%
O: 6.25%
N: 18.75%
Weight
125.131
Programa de Cálculo
G16
SMILES
N[C@@]1C(O)=NN2[C@]1CC2
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C5H9N3O/c6-4-3-1-2-8(3)7-5(4)9/h3-4H,1-2,6H2,(H,7,9)/t3-,4-/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
ZGIVMLVQURSGKJ-IMJSIDKUSA-N