|
2,2-dimethylpropanohydrazide |
|
|
|
ID: BBC/500 CAS:42826-42-6 Supplier:Aronis SMILES:C(C(=O)NN)(C)(C)C FORMULA: C5H12N2O
MASS: 116.1616
EXACT MASS: 116.0949630
INTERATOMIC DISTANCES
C 1 C 2 C 3 C 4 C 5 N 6
------------------------------------------------------------------
C 1 0.0000
C 2 0.8230 0.0000
C 3 0.8306 1.6536 0.0000
C 4 0.8362 1.1719 1.1764 0.0000
C 5 0.8284 1.1697 1.1747 1.6646 0.0000
N 6 1.4331 0.8286 2.1909 1.2461 1.9827 0.0000
O 7 1.4290 0.8291 2.1886 1.9850 1.2420 1.4346
N 8 1.6578 1.4346 2.1917 1.0222 2.4116 0.8292
O 7 N 8
----------------------
O 7 0.0000
N 8 2.1919 0.0000
ATOMIC CHARGES
C 1 0.0719150516
C 2 0.2578316167
C 3 0.0091857746
C 4 0.0091857746
C 5 0.0091857746
N 6 -0.0924951763
O 7 -0.2718969398
N 8 0.0070881240
BOND ANGLES
3 1 5 C3 C3 C3 90.158
2 1 5 C2 C3 C3 90.193
4 1 5 C3 C3 C3 179.974
5 1 3 C3 C3 C3 90.158
2 1 3 C2 C3 C3 179.649
4 1 3 C3 C3 C3 89.786
7 2 6 O2 C2 Nam 119.857
2 6 8 C2 Nam N3 119.857
5 1 2 C3 C3 C2 90.193
1 2 6 C3 C2 Nam 120.391
1 2 7 C3 C2 O2 119.752
3 1 2 C3 C3 C2 179.649
1 2 6 C3 C2 Nam 120.391
1 2 7 C3 C2 O2 119.752
4 1 2 C3 C3 C2 89.863
1 2 6 C3 C2 Nam 120.391
1 2 7 C3 C2 O2 119.752
6 2 7 Nam C2 O2 119.857
5 1 4 C3 C3 C3 179.974
3 1 4 C3 C3 C3 89.786
2 1 4 C2 C3 C3 89.863
TORSION ANGLES
1 2 6 8 0.026
7 2 6 8 179.974
5 1 2 6 179.974
5 1 2 7 0.026
3 1 2 6 0.026
3 1 2 7 179.974
4 1 2 6 0.026
4 1 2 7 179.974
CHIRAL ATOMS
C 1 is chiral: counterclockwise
|