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January 28, 2026
C2H3N3O
Datos Químicos de C2H3N3O
ID
759
Molecular Scaffold
gKU@I`eKcRp@
Molecular Formula
C2H3N3O
Elemental Composition %
C: 22.2222222222222%
H: 33.3333333333333%
O: 11.1111111111111%
N: 33.3333333333333%
Weight
85.0658
Programa de Cálculo
G16
SMILES
Nc1cnno1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C2H3N3O/c3-2-1-4-5-6-2/h1H,3H2
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
GSKDBLIBBOYOFU-UHFFFAOYSA-N