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2-(chloromethyl)-5-propyl-1,3,4-oxadiazole

2-(chloromethyl)-5-propyl-1,3,4-oxadiazole ID: BBC/512
CAS:33575-93-8
Supplier:Aronis

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SMILES:o1c(nnc1CCC)CCl	
FORMULA: C6H9ClN2O
MASS: 160.6015
EXACT MASS: 160.0403406
INTERATOMIC DISTANCES

              O   1      C   2      N   3      N   4      C   5      C   6
              ------------------------------------------------------------------
   O   1    0.0000 
   C   2    0.8250     0.0000 
   N   3    1.3360     0.8291     0.0000 
   N   4    1.3360     1.3385     0.8250     0.0000 
   C   5    0.8250     1.3386     1.3385     0.8291     0.0000 
   C   6    1.4710     0.8250     1.4746     2.1384     2.1382     0.0000 
  Cl   7    1.7247     1.4289     2.2127     2.7523     2.5277     0.8250 
   C   8    1.4710     2.1382     2.1384     1.4746     0.8250     2.9070 
   C   9    2.2089     2.7527     2.5286     1.7269     1.4290     3.5639 
   C  10    2.8990     3.5212     3.3491     2.5517     2.1827     4.3153 

             Cl   7      C   8      C   9      C  10
              --------------------------------------------
  Cl   7    0.0000 
   C   8    3.1815     0.0000 
   C   9    3.9334     0.8251     0.0000 
   C  10    4.6093     1.4290     0.8250     0.0000 



ATOMIC CHARGES
   O   1   -0.4220136625
   C   2    0.2424722469
   N   3   -0.1103607943
   N   4   -0.1116630692
   C   5    0.2261770384
   C   6    0.1812615370
  Cl   7   -0.1031212375
   C   8    0.0869652921
   C   9    0.0097599983
   C  10    0.0005226509


BOND ANGLES
   2    1    5  Car   O2  Car    108.435
   3    2    6  Nar  Car   C3    126.129
   1    2    6   O2  Car   C3    126.132
   1    2    3   O2  Car  Nar    107.739
   2    3    4  Car  Nar  Nar    108.044
   3    4    5  Nar  Nar  Car    108.044
   1    5    4   O2  Car  Nar    107.739
   1    5    8   O2  Car   C3    126.132
   4    5    8  Nar  Car   C3    126.129
   2    6    7  Car   C3   Cl    120.006
   5    8    9  Car   C3   C3    119.999
   8    9   10   C3   C3   C3    119.993


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