Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C5H6N2O2
Datos Químicos de C5H6N2O2
ID
54749
Molecular Scaffold
gGy@DDfWDujjVQ`@
Molecular Formula
C5H6N2O2
Elemental Composition %
C: 33.3333333333333%
H: 40%
O: 13.3333333333333%
N: 13.3333333333333%
Weight
126.115
Programa de Cálculo
G16
SMILES
NC([C@H]([C@H]12)[C@H]2NC1=O)=O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C5H6N2O2/c6-4(8)1-2-3(1)7-5(2)9/h1-3H,(H2,6,8)(H,7,9)/t1-,2+,3+/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
UODCZXBPYUOJMF-ZVHKOUPVSA-N