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January 28, 2026
C7H10N2
Datos Químicos de C7H10N2
ID
90840
Molecular Scaffold
dau@@@[IHhTaIVDwUUUUPJDdJU@@
Molecular Formula
C7H10N2
Elemental Composition %
C: 36.8421052631579%
H: 52.6315789473684%
O: 0%
N: 10.5263157894737%
Weight
122.17
Programa de Cálculo
G16
SMILES
CN1[C@]2(C3)[C@H]4N3[C@@H]2[C@H]4C1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C7H11N2/c1-8-2-4-5-7(8)3-9(5)6(4)7/h4-6,9H,2-3H2,1H3/t4-,5-,6-,7+/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
IXWQLTZMKYYPPS-GBNDHIKLSA-N