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January 28, 2026
C7H10N2
Datos Químicos de C7H10N2
ID
84222
Molecular Scaffold
dne@@@IJfTsJIjjjlAQD`OxRLI@
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]1[N][C@@](C2)N3[C@]2(C)[C@H]13
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C7H13N2/c1-4-6-7(2)3-5(8-4)9(6)7/h4-6,8-9H,3H2,1-2H3/t4-,5-,6-,7-/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
RNLQRXZWELGWHQ-AXMZGBSTSA-N