Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C6H7N3
Datos Químicos de C6H7N3
ID
24661
Molecular Scaffold
diW@@@[dieZfxPHJJBP@
Molecular Formula
C6H7N3
Elemental Composition %
C: 37.5%
H: 43.75%
O: 0%
N: 18.75%
Weight
121.143
Programa de Cálculo
G16
SMILES
C1N[C@H]1c1nccnc1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C6H7N3/c1-2-8-5(3-7-1)6-4-9-6/h1-3,6,9H,4H2/t6-/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
WSAFXPLDHKSRFA-ZCFIWIBFSA-N