Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C6H8N2
Datos Químicos de C6H8N2
ID
17737
Molecular Scaffold
dau@@@[IHhXaIVTwUUUUPJHbIU@@
Molecular Formula
C6H8N2
Elemental Composition %
C: 37.5%
H: 50%
O: 0%
N: 12.5%
Weight
108.144
Programa de Cálculo
G16
SMILES
C1N[C@@]11[C@H]2N3[C@@H]1[C@@H]2C3
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C6H9N2/c1-3-4-6(2-7-6)5(3)8(1)4/h3-5,7-8H,1-2H2/t3-,4+,5-,6+
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
NZJJUWTWYUOMBE-FBXFSONDSA-N