Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C7H7NO
Datos Químicos de C7H7NO
ID
44037
Molecular Scaffold
diNH@DAIefpjza[fjjjbrEJgP@
Molecular Formula
C7H7NO
Elemental Composition %
C: 43.75%
H: 43.75%
O: 6.25%
N: 6.25%
Weight
121.139
Programa de Cálculo
G16
SMILES
O=C1N[C@@]2(C3)[C@@]11[C@H]3[C@H]2C1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C7H7NO/c9-5-6-1-4-3(6)2-7(4,6)8-5/h3-4H,1-2H2,(H,8,9)/t3-,4-,6+,7-/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
SMYUTRBOIBFASQ-ZCBVHYEASA-N