Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C7H11N
Datos Químicos de C7H11N
ID
17705
Molecular Scaffold
dfF@@@RidIJpjjjHEBRE@@
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]1[C@@H]2N3[C@H]1[C@H]2[C@H]3C
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C7H12N/c1-3-6-5-4(2)8(6)7(3)5/h3-8H,1-2H3/t3-,4-,5+,6+,7-/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
VZYWPUXOKIBJOC-TYDWOXHJSA-N