Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C7H11N
Datos Químicos de C7H11N
ID
18393
Molecular Scaffold
daf@@@ReUaFzjZiHbH@
Molecular Formula
C7H11N
Elemental Composition %
C: 36.8421052631579%
H: 57.8947368421053%
O: 0%
N: 5.26315789473684%
Weight
109.171
Programa de Cálculo
G16
SMILES
C1CC=C[C@H]2N[C@H]2C1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C7H11N/c1-2-4-6-7(8-6)5-3-1/h2,4,6-8H,1,3,5H2/t6-,7+/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
IHTUURFTJXOARH-NKWVEPMBSA-N