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January 28, 2026
C4H5N4F
Datos Químicos de C4H5N4F
ID
132847
Molecular Scaffold
gFt@ATiTveh@
Molecular Formula
C4H5N4F
Elemental Composition %
C: 28.5714285714286%
H: 35.7142857142857%
O: 0%
N: 28.5714285714286%
Weight
128.11
Programa de Cálculo
G16
SMILES
[NH]C1=C([NH])NC(F)=CN1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C4H5FN4/c5-2-1-8-3(6)4(7)9-2/h1,6-9H
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
KXURZPSYTLATKB-UHFFFAOYSA-N