Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C7H7NO
Datos Químicos de C7H7NO
ID
45646
Molecular Scaffold
divH@BAIfVij{aZjjhdQRitABUcX
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=C1[C@@H]2N(C3)[C@H]3[C@@]2[CH]C1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C7H9NO/c9-6-2-1-4-5-3-8(5)7(4)6/h1,4-5,7-8H,2-3H2/t4-,5+,7+/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
NYTBCLIQRSTBSX-HBPOCXIASA-N