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January 28, 2026
C2H4N4O
Datos Químicos de C2H4N4O
ID
3856
Molecular Scaffold
gK@ALeKcMPC~EDN@
Molecular Formula
C2H4N4O
Elemental Composition %
C: 18.1818181818182%
H: 36.3636363636364%
O: 9.09090909090909%
N: 36.3636363636364%
Weight
100.081
Programa de Cálculo
G16
SMILES
N[C@]1N[N]N=C1O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C2H6N4O/c3-1-2(7)5-6-4-1/h1,4,6H,3H2,(H,5,7)/t1-/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
XWMNABMITBQFLE-SFOWXEAESA-N