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2-ETHYL-2,7-DIAZASPIRO[4,4]NONANE
2-ETHYL-2,7-DIAZASPIRO[4,4]NONANE
ID: BP-11226
CAS:763883-32-5
Supplier:BroadPharm

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SMILES:N1(CC2(CC1)CNCC2)CC	
FORMULA: C9H18N2
MASS: 154.2526
EXACT MASS: 154.1469986
INTERATOMIC DISTANCES

              N   1      C   2      N   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    2.2022     0.0000 
   N   3    3.8375     2.2171     0.0000 
   C   4    1.2750     1.2642     2.5625     0.0000 
   C   5    1.2813     2.5833     4.6406     2.2311     0.0000 
   C   6    2.5433     1.2998     3.4067     2.2126     2.2275     0.0000 
   C   7    2.5750     1.2841     1.2625     1.3000     3.4271     2.5839 
   C   8    1.2615     3.3502     4.5931     2.1933     2.1880     3.8048 
   C   9    3.3773     1.2848     2.5499     2.5491     3.4180     1.3084 
   C  10    4.6062     2.5625     1.2714     3.3811     5.1458     3.4102 
   C  11    2.1825     4.3847     5.8274     3.3470     2.5031     4.5624 

              C   7      C   8      C   9      C  10      C  11
              -------------------------------------------------------
   C   7    0.0000 
   C   8    3.3797     0.0000 
   C   9    2.2083     4.5850     0.0000 
   C  10    2.1954     5.5493     2.2104     0.0000 
   C  11    4.5931     1.2625     5.5376     6.7280     0.0000 



ATOMIC CHARGES
   N   1   -0.2726313678
   C   2    0.0335635372
   N   3   -0.2180027900
   C   4    0.0734837720
   C   5    0.0721844255
   C   6    0.0201022831
   C   7    0.0900384091
   C   8    0.0721387631
   C   9    0.0215796425
   C  10    0.0887887795
   C  11    0.0187545458


BOND ANGLES
   4    1    5   C3   N3   C3    121.569
   4    1    8   C3   N3   C3    119.699
   5    1    8   C3   N3   C3    118.732
   4    2    7   C3   C3   C3     61.342
   4    2    9   C3   C3   C3    179.892
   4    2    6   C3   C3   C3    119.289
   7    2    9   C3   C3   C3    118.550
   6    2    7   C3   C3   C3    179.368
   6    2    9   C3   C3   C3     60.819
   7    3   10   C3   N3   C3    120.094
   1    4    2   N3   C3   C3    120.283
   1    5    6   N3   C3   C3     88.641
   2    6    5   C3   C3   C3     90.218
   2    7    3   C3   C3   N3    121.059
   1    8   11   N3   C3   C3    119.699
   2    9   10   C3   C3   C3     90.299
   3   10    9   N3   C3   C3     89.998


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


CHIRAL ATOMS
   9   10    3    7      0.026