Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C5H6N2O
Datos Químicos de C5H6N2O
ID
14437
Molecular Scaffold
dne@@@YJfhjIjjjlAQBPOxQLY@
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
O[C@]1(C2)[C@H]3N2[CH][N][C@@H]13
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C5H8N2O/c8-5-1-7-2-6-3(5)4(5)7/h2-4,6-8H,1H2/t3-,4+,5-/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
MQLRWSUICIYZGH-LMVFSUKVSA-N