Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C7H9NO
Datos Químicos de C7H9NO
ID
106014
Molecular Scaffold
dnV@@@RieJpbZfjjjjAHbUQh@
Molecular Formula
C7H9NO
Elemental Composition %
C: 38.8888888888889%
H: 50%
O: 5.55555555555556%
N: 5.55555555555556%
Weight
123.154
Programa de Cálculo
G16
SMILES
OC[C@@]12N3[C@@H]4[C@H]2[C@@H]4[C@H]1C3
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C7H10NO/c9-2-7-3-1-8(7)6-4(3)5(6)7/h3-6,8-9H,1-2H2/t3-,4-,5+,6-,7+/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
PQZWFZSVWRLAPE-NEVCITSRSA-N