Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C7H7NO
Datos Químicos de C7H7NO
ID
73994
Molecular Scaffold
daVH@BAIfTjifyjjjIDTiL`_pfXv@
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
C[C@@]([C@@](C1)[C@H]2N1[C@@H]21)C1=O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C7H10NO/c1-3-4-2-8-5(4)6(8)7(3)9/h3-6,8H,2H2,1H3/t3-,4-,5+,6+/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
HUAFAZSOQLUWGK-UNTFVMJOSA-N