Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C5H8N2O2
Datos Químicos de C5H8N2O2
ID
64982
Molecular Scaffold
eO`BNZ`@
Molecular Formula
C5H8N2O2
Elemental Composition %
C: 29.4117647058824%
H: 47.0588235294118%
O: 11.7647058823529%
N: 11.7647058823529%
Weight
128.131
Programa de Cálculo
G16
SMILES
C[C@]1(C(OC=O)=N)NC1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C5H8N2O2/c1-5(2-7-5)4(6)9-3-8/h3,6-7H,2H2,1H3/t5-/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
BSONFKRTZLLRNX-YFKPBYRVSA-N