Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C4H8N2O
Datos Químicos de C4H8N2O
ID
2774
Molecular Scaffold
gKY@LDidZZ@@
Molecular Formula
C4H8N2O
Elemental Composition %
C: 26.6666666666667%
H: 53.3333333333333%
O: 6.66666666666667%
N: 13.3333333333333%
Weight
100.121
Programa de Cálculo
G16
SMILES
C/N=C1OC[C@H]1N
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C4H8N2O/c1-6-4-3(5)2-7-4/h3H,2,5H2,1H3/t3-/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
KPASFXZPXPJBMT-VKHMYHEASA-N