Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C7H11NO
Datos Químicos de C7H11NO
ID
92038
Molecular Scaffold
daV@@@Ri^cJYnjjjlbDfP@
Molecular Formula
C7H11NO
Elemental Composition %
C: 35%
H: 55%
O: 5%
N: 5%
Weight
125.17
Programa de Cálculo
G16
SMILES
O[C@@H]1[C@H](C2)[C@H]2[C@H](C2)N2C1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C7H11NO/c9-7-3-8-2-6(8)4-1-5(4)7/h4-7,9H,1-3H2/t4-,5-,6+,7+,8?/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
LVEQPAXNAZBZJO-WZPXOXCRSA-N