Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C5H6N2O2
Datos Químicos de C5H6N2O2
ID
26879
Molecular Scaffold
gOu@EPdrm[UR@a[C`
Molecular Formula
C5H6N2O2
Elemental Composition %
C: 33.3333333333333%
H: 40%
O: 13.3333333333333%
N: 13.3333333333333%
Weight
126.115
Programa de Cálculo
G16
SMILES
C[C@@](C(O)=N[CH]1)NC1=O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C5H7N2O2/c1-3-5(9)6-2-4(8)7-3/h2-3H,1H3,(H,6,9)(H,7,8)/t3-/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
LMOAUJSZDSBROG-VKHMYHEASA-N