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January 28, 2026
CHN3O
Datos Químicos de CHN3O
ID
174
Molecular Scaffold
gK]@IbDiZV@@
Molecular Formula
CHN3O
Elemental Composition %
C:
16.6666666666667
%
H:
16.6666666666667
%
O:
16.6666666666667
%
N:
50
%
Weight
71.0389
Programa de Cálculo
G16
SMILES
c1nnno1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/CHN3O/c1-2-3-4-5-1/h1H
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
CQDAMYNQINDRQC-UHFFFAOYSA-N
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