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January 28, 2026
C7H10N2
Datos Químicos de C7H10N2
ID
40033
Molecular Scaffold
diM@@@{IHhkLhjInFjjjj`dHiTY@@
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@@]11[C@H]([C@@H]2C3)[C@H]2N3C1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C7H11N2/c1-4-5-6(4)9(1)3-7(5)2-8-7/h4-6,8-9H,1-3H2/t4-,5+,6-,7+/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
SQIVYPOXHCNUJH-BNHYGAARSA-N