Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C6H7N3
Datos Químicos de C6H7N3
ID
34643
Molecular Scaffold
dnE@@@qJUbjfZjjJ`@
Molecular Formula
C6H7N3
Elemental Composition %
C: 37.5%
H: 43.75%
O: 0%
N: 18.75%
Weight
121.143
Programa de Cálculo
G16
SMILES
N#CC1=NCC[C@@H]2N1C2
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C6H7N3/c7-3-6-8-2-1-5-4-9(5)6/h5H,1-2,4H2/t5-,9?/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
UMFWWLHGJPPVGS-GXRJOMEUSA-N