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January 28, 2026
C4H4N4O
Datos Químicos de C4H4N4O
ID
125210
Molecular Scaffold
dadh@HqnAJVwB[jii`ABPcH
Molecular Formula
C4H4N4O
Elemental Composition %
C: 30.7692307692308%
H: 30.7692307692308%
O: 7.69230769230769%
N: 30.7692307692308%
Weight
124.103
Programa de Cálculo
G16
SMILES
CC1=C2O[N]N=C2[N]N1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C4H6N4O/c1-2-3-4(6-5-2)7-8-9-3/h8H,1H3,(H2,5,6,7)
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
TVEOBTRGJMYNKY-UHFFFAOYSA-N