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January 28, 2026
C5H7N3O
Datos Químicos de C5H7N3O
ID
124937
Molecular Scaffold
gO}@DVDfUkZjPG|KXT@
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
C[C@](C(C)=N[N]N1)C1=O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C5H9N3O/c1-3-4(2)6-8-7-5(3)9/h3,8H,1-2H3,(H,7,9)/t3-/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
HUPZDDOVHFWGRC-GSVOUGTGSA-N