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January 28, 2026
C7H10N2
Datos Químicos de C7H10N2
ID
123726
Molecular Scaffold
diU@@@aJUypnFZjf@@
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(C1)CC1c1ccn[nH]1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C7H10N2/c1-2-6(3-1)7-4-5-8-9-7/h4-6H,1-3H2,(H,8,9)
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
HLPBQDVLMHJKRN-UHFFFAOYSA-N