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January 28, 2026
C5H7N3O
Datos Químicos de C5H7N3O
ID
97028
Molecular Scaffold
gF|@AjeKxmS@@
Molecular Formula
C5H7N3O
Elemental Composition %
C: 31.25%
H: 43.75%
O: 6.25%
N: 18.75%
Weight
125.131
Programa de Cálculo
G16
SMILES
C/N=C1N(C=O)C=NC1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C5H7N3O/c1-6-5-2-7-3-8(5)4-9/h3-4H,2H2,1H3
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
VFZCMWDPZFGCPF-UHFFFAOYSA-N