Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C5H6N2O
Datos Químicos de C5H6N2O
ID
5336
Molecular Scaffold
dnE@@@IJV|JfZjiDaPG|HfY`
Molecular Formula
C5H6N2O
Elemental Composition %
C: 35.7142857142857%
H: 42.8571428571429%
O: 7.14285714285714%
N: 14.2857142857143%
Weight
110.116
Programa de Cálculo
G16
SMILES
OC1=N[C@](CC2)N2[CH]1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C5H8N2O/c8-5-3-7-2-1-4(7)6-5/h3-4,7H,1-2H2,(H,6,8)/t4-/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
QLJNUVXFBFPVCB-SCSAIBSYSA-N