Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C6H8N2
Datos Químicos de C6H8N2
ID
5787
Molecular Scaffold
dae@@@YJU{B[jVjhi@@
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@H]1c1c[nH]cc1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C6H8N2/c1-2-7-3-5(1)6-4-8-6/h1-3,6-8H,4H2/t6-/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
SFWWEXSNWPETGM-ZCFIWIBFSA-N