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January 28, 2026
C4H7N5
Datos Químicos de C4H7N5
ID
123450
Molecular Scaffold
diV`@@aB{IDhULKaZjihY@@
Molecular Formula
C4H7N5
Elemental Composition %
C: 25%
H: 43.75%
O: 0%
N: 31.25%
Weight
125.135
Programa de Cálculo
G16
SMILES
C([C@@H]1NC1)n1nncn1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C4H7N5/c1-4(5-1)2-9-7-3-6-8-9/h3-5H,1-2H2/t4-/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
KAZYCTAJTPLETI-SCSAIBSYSA-N