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January 28, 2026
CH2N4O
Datos Químicos de CH2N4O
ID
776
Molecular Scaffold
gFs@EcPdrfmT`@
Molecular Formula
CH2N4O
Elemental Composition %
C: 12.5%
H: 25%
O: 12.5%
N: 50%
Weight
86.0539
Programa de Cálculo
G16
SMILES
O=C1NN=NN1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/CH2N4O/c6-1-2-4-5-3-1/h(H2,2,3,4,5,6)
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
JXBKZAYVMSNKHA-UHFFFAOYSA-N