Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C5H5N3O
Datos Químicos de C5H5N3O
ID
80113
Molecular Scaffold
gGy@LDi[DvfjaP@
Molecular Formula
C5H5N3O
Elemental Composition %
C: 35.7142857142857%
H: 35.7142857142857%
O: 7.14285714285714%
N: 21.4285714285714%
Weight
123.115
Programa de Cálculo
G16
SMILES
N[C@@H]1[C@]2(C#N)OC=N[C@@H]12
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C5H5N3O/c6-1-5-3(7)4(5)8-2-9-5/h2-4H,7H2/t3-,4-,5+/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
VBISTFGVOARZSD-WDCZJNDASA-N