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January 28, 2026
C6H10N2
Datos Químicos de C6H10N2
ID
8274
Molecular Scaffold
gBX@@eJuT@@
Molecular Formula
C6H10N2
Elemental Composition %
C: 33.3333333333333%
H: 55.5555555555556%
O: 0%
N: 11.1111111111111%
Weight
110.159
Programa de Cálculo
G16
SMILES
CC1CN(CC#N)C1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C6H10N2/c1-6-4-8(5-6)3-2-7/h6H,3-5H2,1H3
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
AHSYWOVRMBMRQZ-UHFFFAOYSA-N