Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C7H11N
Datos Químicos de C7H11N
ID
19062
Molecular Scaffold
dnf@@@RieLIjZjjh`TQHr@
Molecular Formula
C7H11N
Elemental Composition %
C: 36.8421052631579%
H: 57.8947368421053%
O: 0%
N: 5.26315789473684%
Weight
109.171
Programa de Cálculo
G16
SMILES
C[C@@H]1N2[C@H](C3)C[C@H]3[C@@H]12
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C7H12N/c1-4-7-5-2-6(3-5)8(4)7/h4-8H,2-3H2,1H3/t4-,5?,6?,7-/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
BGXGMRKUDWZGHG-WMXYBCMPSA-N