|
Ethylmagnesium chloride |
|
|
|
ID: API-45637 CAS:2386-64-3 Supplier:APIchem SMILES:[Cl-].[Mg+2].[CH2-]C ChemMol.com FORMULA: C2H5ClMg
MASS: 88.8191
EXACT MASS: 87.9930195
INTERATOMIC DISTANCES
Cl 1 Mg 2 C 3 C 4 H 5 H 6
------------------------------------------------------------------
Cl 1 0.0000
Mg 2 1.0001 0.0000
C 3 1.7321 1.0000 0.0000
C 4 2.6458 2.0000 1.0000 0.0000
H 5 2.1115 1.1766 0.6200 1.1766 0.0000
H 6 1.5201 1.1766 0.6200 1.1766 1.2399 0.0000
H 7 2.9083 2.0939 1.1766 0.6200 1.0000 1.5929
H 8 3.2380 2.6199 1.6199 0.6200 1.7345 1.7345
H 9 2.5121 2.0938 1.1766 0.6200 1.5929 1.0000
H 7 H 8 H 9
---------------------------------
H 7 0.0000
H 8 0.8768 0.0000
H 9 1.2399 0.8768 0.0000
ATOMIC CHARGES
Cl 1 0.0000000000
Mg 2 0.0000000000
C 3 -1.0000000000
C 4 0.0000000000
H 5 0.0000000000
H 6 0.0000000000
H 7 0.0000000000
H 8 0.0000000000
H 9 0.0000000000
BOND ANGLES
5 3 4 HC C- C3 89.999
3 4 7 C- C3 HC 90.001
3 4 8 C- C3 HC 179.974
3 4 9 C- C3 HC 89.999
6 3 4 HC C- C3 90.001
3 4 7 C- C3 HC 90.001
3 4 8 C- C3 HC 179.974
3 4 9 C- C3 HC 89.999
4 3 5 C3 C- HC 89.999
6 3 5 HC C- HC 179.974
4 3 6 C3 C- HC 90.001
5 3 6 HC C- HC 179.974
8 4 7 HC C3 HC 90.000
9 4 7 HC C3 HC 179.974
7 4 8 HC C3 HC 90.000
9 4 8 HC C3 HC 90.000
7 4 9 HC C3 HC 179.974
8 4 9 HC C3 HC 90.000
TORSION ANGLES
5 3 4 7 0.026
5 3 4 8 179.974
5 3 4 9 179.974
6 3 4 7 179.974
6 3 4 8 0.026
6 3 4 9 0.026
|