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January 28, 2026
C7H10N2
Datos Químicos de C7H10N2
ID
39793
Molecular Scaffold
diM@@@yJ[naBhfxZjjjbbYBUP@
Molecular Formula
C7H10N2
Elemental Composition %
C: 36.8421052631579%
H: 52.6315789473684%
O: 0%
N: 10.5263157894737%
Weight
122.17
Programa de Cálculo
G16
SMILES
C1N[C@]1([C@@H]1C2)[C@@H]2[C@]11NC1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C7H10N2/c1-4-6(2-8-6)5(1)7(4)3-9-7/h4-5,8-9H,1-3H2
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
BHXJRJPZNUNYEP-UHFFFAOYSA-N