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January 28, 2026
C4H7N5
Datos Químicos de C4H7N5
ID
130427
Molecular Scaffold
gOr@AjtiUMZi`G|IYd@
Molecular Formula
C4H7N5
Elemental Composition %
C: 25%
H: 43.75%
O: 0%
N: 31.25%
Weight
125.135
Programa de Cálculo
G16
SMILES
NC[C@]1N=C[N]NC1=N
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C4H9N5/c5-1-3-4(6)9-8-2-7-3/h2-3H,1,5H2,(H2,6,9)(H,7,8)/t3-/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
SPDOWAVVXGIIRF-GSVOUGTGSA-N