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January 28, 2026
C7H10N2
Datos Químicos de C7H10N2
ID
90835
Molecular Scaffold
dau@@@yJfuBRbZnjjjj`TIHTj@@
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](C1)[C@@]23N[C@H]4[C@@H]2N1[C@@H]34
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C7H11N2/c1-3-2-9-5-4-6(9)7(3,5)8-4/h3-6,8-9H,2H2,1H3/t3-,4-,5-,6+,7+/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
KWYRKQPHCPLKQL-OVHBTUCOSA-N