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January 28, 2026
C7H10N2
Datos Químicos de C7H10N2
ID
37597
Molecular Scaffold
diM@@@EJfUKjYaxZjjjjaDfWPX@
Molecular Formula
C7H10N2
Elemental Composition %
C: 36.8421052631579%
H: 52.6315789473684%
O: 0%
N: 10.5263157894737%
Weight
122.17
Programa de Cálculo
G16
SMILES
C([C@@H]12)N3[C@@H](C4)[C@H]2N1[C@@H]4C3
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C7H11N2/c1-4-2-8-3-6-7(5(1)8)9(4)6/h4-7,9H,1-3H2/t4-,5-,6-,7-/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
ZKVFZMOTUZTKKH-AXMZGBSTSA-N