Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C7H10N2
Datos Químicos de C7H10N2
ID
40459
Molecular Scaffold
diM@@@YJe~aLHjxZjjjbBPdaP@
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)N1[C@@]1(C2)[C@@H]3N2[C@@H]3C1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C7H11N2/c1-2-8(1)7-3-5-6(7)9(5)4-7/h5-6,9H,1-4H2/t5-,6-,7-/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
MAOVVSONOCCKFH-ACZMJKKPSA-N