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January 28, 2026
C6H10N2O
Datos Químicos de C6H10N2O
ID
40321
Molecular Scaffold
diuH@BxDizzDInFjjjlaXjP@
Molecular Formula
C6H10N2O
Elemental Composition %
C: 31.5789473684211%
H: 52.6315789473684%
O: 5.26315789473684%
N: 10.5263157894737%
Weight
126.158
Programa de Cálculo
G16
SMILES
C1N[C@H]1[C@]1([C@@H]2OC2)NC1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C6H10N2O/c1-4(7-1)6(3-8-6)5-2-9-5/h4-5,7-8H,1-3H2/t4-,5+,6-/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
UJDHKSGBPILKKH-NGJCXOISSA-N