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January 28, 2026
C4H6N4
Datos Químicos de C4H6N4
ID
21552
Molecular Scaffold
gFt@ADiTvZdADv@
Molecular Formula
C4H6N4
Elemental Composition %
C: 28.5714285714286%
H: 42.8571428571429%
O: 0%
N: 28.5714285714286%
Weight
110.12
Programa de Cálculo
G16
SMILES
N[C@]1NN=CC([NH])=C1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C4H7N4/c5-3-1-4(6)8-7-2-3/h1-2,4-5,8H,6H2/t4-/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
WYELQUMFYQKLEO-BYPYZUCNSA-N