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January 28, 2026
C5H10N2
Datos Químicos de C5H10N2
ID
3183
Molecular Scaffold
gGt@@TizHvjjfP@
Molecular Formula
C5H10N2
Elemental Composition %
C: 29.4117647058824%
H: 58.8235294117647%
O: 0%
N: 11.7647058823529%
Weight
98.1484
Programa de Cálculo
G16
SMILES
C[C@]1([C@@H]2NC2)NC1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C5H10N2/c1-5(3-7-5)4-2-6-4/h4,6-7H,2-3H2,1H3/t4-,5+/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
MZRKQRDUHJWNQB-UHNVWZDZSA-N