Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C5H8N2O
Datos Químicos de C5H8N2O
ID
19517
Molecular Scaffold
gGy@LDi[DvfjRa`@
Molecular Formula
C5H8N2O
Elemental Composition %
C: 31.25%
H: 50%
O: 6.25%
N: 12.5%
Weight
112.132
Programa de Cálculo
G16
SMILES
CN[C@H]1[C@H]2OC=N[C@H]12
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C5H8N2O/c1-6-3-4-5(3)8-2-7-4/h2-6H,1H3/t3-,4-,5+/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
DKAYHRVXYZZZBD-VAYJURFESA-N