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January 28, 2026
C5H4N2O2
Datos Químicos de C5H4N2O2
ID
130766
Molecular Scaffold
diuD@LHDRY[RinxVjjjrhty@aBRl@
Molecular Formula
C5H4N2O2
Elemental Composition %
C: 38.4615384615385%
H: 30.7692307692308%
O: 15.3846153846154%
N: 15.3846153846154%
Weight
124.099
Programa de Cálculo
G16
SMILES
O=C1O[N][C@]2N1[C@H]1[C@@H]2C1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C5H6N2O2/c8-5-7-3-1-2(3)4(7)6-9-5/h2-4,6H,1H2/t2-,3-,4-/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
YEMDUGFELHHNIP-HZLVTQRSSA-N