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January 28, 2026
C7H10N2
Datos Químicos de C7H10N2
ID
30264
Molecular Scaffold
dae@@@qJYWJ[fij`@
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)Cn2c1ncc2
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C7H10N2/c1-6-4-7-8-2-3-9(7)5-6/h2-3,6H,4-5H2,1H3/t6-/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
UGWUZYRCMSJHIJ-LURJTMIESA-N