Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C5H4N2O2
Datos Químicos de C5H4N2O2
ID
25259
Molecular Scaffold
diUD@DDJRY[R[aZijP@
Molecular Formula
C5H4N2O2
Elemental Composition %
C: 38.4615384615385%
H: 30.7692307692308%
O: 15.3846153846154%
N: 15.3846153846154%
Weight
124.099
Programa de Cálculo
G16
SMILES
O=C1NCc2c1ocn2
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C5H4N2O2/c8-5-4-3(1-6-5)7-2-9-4/h2H,1H2,(H,6,8)
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
MQRBCZQMYLMVDL-UHFFFAOYSA-N