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6-Methoxyquinaldine 6-methoxy-2-methylquinoline
6-Methoxyquinaldine
6-methoxy-2-methylquinoline ID: BBC/370
CAS:1078-28-0
Supplier:Aronis

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SMILES:n1c2c(cc(cc2)OC)ccc1C	
FORMULA: C11H11NO
MASS: 173.2111
EXACT MASS: 173.0840640
INTERATOMIC DISTANCES

              N   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    1.3345     0.0000 
   C   3    2.3076     1.3333     0.0000 
   C   4    3.5234     2.3055     1.3307     0.0000 
   C   5    2.3125     1.3349     2.3127     2.6666     0.0000 
   C   6    1.3256     2.3042     2.6600     3.9908     3.5236     0.0000 
   C   7    2.6667     2.3087     1.3279     2.3000     3.5278     2.3112 
   C   8    3.9930     2.6585     2.3000     1.3236     2.3086     4.7922 
   C   9    2.3101     2.6648     2.3000     3.5147     3.9997     1.3416 
   C  10    3.5197     2.3000     2.6627     2.3086     1.3236     4.6042 
   O  11    5.3124     3.9779     3.5074     2.2917     3.5098     6.0824 
   C  12    2.3000     3.5190     3.9867     5.3175     4.6125     1.3267 
   C  13    6.0827     4.7798     3.9738     2.6430     4.5955     6.6338 

              C   7      C   8      C   9      C  10      O  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    3.5106     0.0000 
   C   9    1.3287     4.6000     0.0000 
   C  10    3.9905     1.3416     4.7952     0.0000 
   O  11    4.5917     1.3194     5.7815     2.3013     0.0000 
   C  12    3.5203     6.0904     2.3076     5.7940     7.3908     0.0000 
   C  13    4.7744     2.2869     6.0731     3.5129     1.3250     7.9605 

              C  13
              -----------
   C  13    0.0000 



ATOMIC CHARGES
   N   1   -0.2496557824
   C   2    0.0810796613
   C   3    0.0206892296
   C   4    0.0383951432
   C   5    0.0221960683
   C   6    0.0593369948
   C   7    0.0028048121
   C   8    0.1388313921
   C   9    0.0147488963
   C  10    0.0384441878
   O  11   -0.4714256646
   C  12    0.0520884831
   C  13    0.2524665784


BOND ANGLES
   2    1    6  Car  Nar  Car    120.041
   1    2    3  Nar  Car  Car    119.766
   1    2    5  Nar  Car  Car    120.068
   3    2    5  Car  Car  Car    120.167
   2    3    4  Car  Car  Car    119.858
   2    3    7  Car  Car  Car    120.348
   4    3    7  Car  Car  Car    119.794
   3    4    8  Car  Car  Car    120.108
   2    5   10  Car  Car  Car    119.799
   1    6    9  Nar  Car  Car    120.014
   1    6   12  Nar  Car   C3    120.262
   9    6   12  Car  Car   C3    119.724
   3    7    9  Car  Car  Car    119.948
  10    8   11  Car  Car   O3    119.724
   4    8   10  Car  Car  Car    120.034
   4    8   11  Car  Car   O3    120.241
   6    9    7  Car  Car  Car    119.884
   5   10    8  Car  Car  Car    120.034
   8   11   13  Car   O3   C3    119.724


TORSION ANGLES
   3    2    1    6      0.026
   5    2    1    6    179.974
   4    3    2    1    179.974
   4    3    2    5      0.026
   7    3    2    1      0.026
   7    3    2    5    179.974
   8    4    3    2      0.026
   8    4    3    7    179.974
  10    5    2    1    179.974
  10    5    2    3      0.026
   9    6    1    2      0.026
  12    6    1    2    179.974
   3    7    9    6      0.026
  11    8   10    5    179.974
   4    8   10    5      0.026
   7    9    6    1      0.026
   7    9    6   12    179.974
   8   10    5    2      0.026
  13   11    8   10    179.974
  13   11    8    4      0.026
   9    7    3    2      0.026
   9    7    3    4    179.974
  10    8    4    3      0.026
  11    8    4    3    179.974