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January 28, 2026
C7H10N2
Datos Químicos de C7H10N2
ID
40407
Molecular Scaffold
diu@@@YJYYaJEnjjj[HbSD@
Molecular Formula
C7H10N2
Elemental Composition %
C: 36.8421052631579%
H: 52.6315789473684%
O: 0%
N: 10.5263157894737%
Weight
122.17
Programa de Cálculo
G16
SMILES
C1N[C@H]1[C@]12N[C@@H]1C=CC2
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C7H10N2/c1-2-5-7(3-1,9-5)6-4-8-6/h1-2,5-6,8-9H,3-4H2/t5-,6+,7-/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
NYHQPRDOIFSJHX-XVMARJQXSA-N