Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C5H4N2O
Datos Químicos de C5H4N2O
ID
15212
Molecular Scaffold
eO@Hyj@
Molecular Formula
C5H4N2O
Elemental Composition %
C: 41.6666666666667%
H: 33.3333333333333%
O: 8.33333333333333%
N: 16.6666666666667%
Weight
108.1
Programa de Cálculo
G16
SMILES
N#C[C@H]([C@@H]1C#N)[C@H]1O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C5H4N2O/c6-1-3-4(2-7)5(3)8/h3-5,8H/t3-,4+,5+
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
RXMCSPKOYMGYRU-SCDXWVJYSA-N