Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C6H12N2O
Datos Químicos de C6H12N2O
ID
121501
Molecular Scaffold
eO`BNZ`@
Molecular Formula
C6H12N2O
Elemental Composition %
C: 28.5714285714286%
H: 57.1428571428571%
O: 4.76190476190476%
N: 9.52380952380952%
Weight
128.174
Programa de Cálculo
G16
SMILES
CCO/C=N/C[C@@H]1NC1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C6H12N2O/c1-2-9-5-7-3-6-4-8-6/h5-6,8H,2-4H2,1H3/t6-/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
GWDYKLUJSGRMBE-LURJTMIESA-N