Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C7H10N2
Datos Químicos de C7H10N2
ID
90823
Molecular Scaffold
dau@@@[IHhTfHVTwUUUTpJHdqEJP@
Molecular Formula
C7H10N2
Elemental Composition %
C: 36.8421052631579%
H: 52.6315789473684%
O: 0%
N: 10.5263157894737%
Weight
122.17
Programa de Cálculo
G16
SMILES
CN1[C@H]2[C@@H]3N4[C@H]2[C@@H]4[C@@H]3C1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C7H11N2/c1-8-2-3-4-6(8)7-5(3)9(4)7/h3-7,9H,2H2,1H3/t3-,4+,5+,6+,7-/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
QDOPAUKISNSSQF-PFCGLBSHSA-N