Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C4H3N3O
Datos Químicos de C4H3N3O
ID
21687
Molecular Scaffold
gKY@HDiZV@@
Molecular Formula
C4H3N3O
Elemental Composition %
C: 36.3636363636364%
H: 27.2727272727273%
O: 9.09090909090909%
N: 27.2727272727273%
Weight
109.088
Programa de Cálculo
G16
SMILES
Nc1nocc1C#N
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C4H3N3O/c5-1-3-2-8-7-4(3)6/h2H,(H2,6,7)
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
LNFYBZNMQYBIIN-UHFFFAOYSA-N