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N3-(2-methoxyethyl)-N1-methyl-b-alaninamide

N3-(2-methoxyethyl)-N1-methyl-b-alaninamide ID: BBC/431
Supplier:Aronis

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SMILES:C(=O)(CCNCCOC)NC	
FORMULA: C7H16N2O2
MASS: 160.2141
EXACT MASS: 160.1211778
INTERATOMIC DISTANCES

              C   1      C   2      O   3      N   4      N   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    1.3306     0.0000 
   O   3    1.3251     2.3040     0.0000 
   N   4    1.3391     2.3127     2.3024     0.0000 
   N   5    3.5089     2.3000     3.9740     4.6126     0.0000 
   C   6    2.2918     1.3272     2.6469     3.5192     1.3272     0.0000 
   O   7    6.9000     5.7963     7.0178     8.0953     3.5212     4.6083 
   C   8    4.5917     3.5130     4.7729     5.7967     1.3272     2.3000 
   C   9    2.3085     3.5236     2.6560     1.3270     5.7945     4.6003 
   C  10    5.7905     4.6083     6.0788     6.9209     2.3083     3.5212 
   C  11    8.0789     6.9083     8.2846     9.2209     4.6083     5.7963 

              O   7      C   8      C   9      C  10      C  11
              -------------------------------------------------------
   O   7    0.0000 
   C   8    2.3083     0.0000 
   C   9    9.2085     6.9002     0.0000 
   C  10    1.3272     1.3344     8.0901     0.0000 
   C  11    1.3272     3.5212    10.3831     2.3000     0.0000 



ATOMIC CHARGES
   C   1    0.2428900154
   C   2    0.1055668904
   O   3   -0.2732914728
   N   4   -0.2034869636
   N   5   -0.2148831536
   C   6    0.0984125947
   O   7   -0.3495695351
   C   8    0.1206929724
   C   9    0.1384966642
   C  10    0.1610067018
   C  11    0.1741652863


BOND ANGLES
   2    1    3   C3   C2   O2    120.360
   2    1    4   C3   C2  Nam    120.062
   3    1    4   O2   C2  Nam    119.578
   1    2    6   C2   C3   C3    119.154
   1    4    9   C2  Nam   C3    119.969
   6    5    8   C3   N3   C3    120.109
   2    6    5   C3   C3   N3    120.109
  10    7   11   C3   O3   C3    120.109
   5    8   10   N3   C3   C3    120.287
   7   10    8   O3   C3   C3    120.287


TORSION ANGLES
   6    2    1    3      0.026
   6    2    1    4    179.974
   9    4    1    2    179.974
   9    4    1    3      0.026
   8    5    6    2    179.974
   5    6    2    1    179.974
  11    7   10    8    179.974
  10    8    5    6    179.974
   7   10    8    5    179.974