Sign In Join Free

Products Information

2,2-dimethyl-3-methylene-norbornane
2,2-dimethyl-3-methylene-norbornane ID: AN-23709
CAS:565-00-4
Supplier:AN PharmaTech Co Ltd

Get a quote


SMILES:C12C(C(=C)C(C1)CC2)(C)C	6616
FORMULA: C10H16
MASS: 136.2340
EXACT MASS: 136.1252005
INTERATOMIC DISTANCES

              C   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    1.9829     0.0000 
   C   3    1.0000     2.3344     0.0000 
   C   4    2.0062     3.5587     1.2280     0.0000 
   C   5    2.0000     3.5722     2.7979     3.2042     0.0000 
   C   6    2.2360     4.1117     2.7229     2.7229     1.0000     0.0000 
   C   7    2.1010     1.0000     1.9828     3.1032     4.0089     4.3362 
   C   8    2.4614     1.0000     3.0904     4.3089     3.5406     4.2778 
   C   9    2.9828     1.0001     3.2752     4.4819     4.4807     5.0834 
   C  10    3.0402     1.8477     2.7103     3.6520     4.9899     5.2565 
   H  11    0.6200     1.7969     1.5996     2.6190     1.8131     2.3237 
   H  12    0.4364     1.9165     0.6199     1.7667     2.4091     2.5437 
   H  13    2.4860     3.8031     1.5718     0.6200     3.8194     3.3364 
   H  14    2.3138     4.0472     1.7253     0.6201     3.1074     2.4557 
   H  15    2.6199     4.1378     3.4014     3.7184     0.6200     1.1766 
   H  16    2.0938     3.3457     3.0149     3.6111     0.6200     1.6199 
   H  17    2.5382     4.4930     2.8142     2.5347     1.6190     0.6200 
   H  18    2.8119     4.6238     3.3416     3.3061     1.1954     0.6200 
   H  19    3.0359     1.1767     3.5031     4.7301     4.2883     4.9883 
   H  20    3.6027     1.6200     3.8734     5.0688     5.0613     5.6907 
   H  21    3.0570     1.1766     3.1545     4.3092     4.7467     5.2503 
   H  22    2.0212     1.1766     2.7878     3.9688     2.9251     3.6867 
   H  23    2.8950     1.6200     3.6191     4.8197     3.6607     4.4909 
   H  24    2.9666     1.1767     3.4784     4.7064     4.1574     4.8762 
   H  25    3.5163     2.0243     3.2845     4.2638     5.4093     5.7504 
   H  26    3.2410     2.3698     2.7220     3.4903     5.2345     5.3906 

              C   7      C   8      C   9      C  10      H  11      H  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.9938     0.0000 
   C   9    1.5209     1.1756     0.0000 
   C  10    1.0000     2.7504     1.8846     0.0000 
   H  11    2.2103     2.0330     2.7597     3.2034     0.0000 
   H  12    1.8301     2.5579     2.9040     2.7149     0.9907     0.0000 
   H  13    3.1993     4.6358     4.6625     3.5861     3.1061     2.1770 
   H  14    3.6721     4.7261     4.9998     4.2617     2.8899     2.1708 
   H  15    4.6161     4.0209     5.0166     5.6015     2.4107     3.0279 
   H  16    3.9219     3.1569     4.1841     4.9203     1.7269     2.5288 
   H  17    4.5985     4.7575     5.4836     5.4667     2.7486     2.7697 
   H  18    4.9113     4.6990     5.5748     5.8470     2.8270     3.1416 
   H  19    1.9805     0.7662     0.6200     2.4827     2.6936     3.0462 
   H  20    2.0326     1.6197     0.6200     2.1543     3.3676     3.5198 
   H  21    1.2135     1.7162     0.6200     1.3069     2.9572     2.8906 
   H  22    2.1339     0.6200     1.7163     3.0243     1.5133     2.2030 
   H  23    2.6123     0.6200     1.6196     3.3381     2.3870     3.0540 
   H  24    2.0411     0.6200     0.7662     2.5986     2.5971     3.0004 
   H  25    1.4158     2.7828     1.7326     0.6201     3.5995     3.2282 
   H  26    1.4158     3.3166     2.5016     0.6200     3.5058     2.8641 

              H  13      H  14      H  15      H  16      H  17      H  18
              ------------------------------------------------------------------
   H  13    0.0000 
   H  14    1.0299     0.0000 
   H  15    4.3381     3.5516     0.0000 
   H  16    4.2114     3.5927     0.8768     0.0000 
   H  17    3.1177     2.1463     1.7495     2.2388     0.0000 
   H  18    3.9121     2.9880     1.0223     1.7552     0.8924     0.0000 
   H  19    4.9788     5.2037     4.7810     3.9203     5.4413     5.4328 
   H  20    5.2205     5.5986     5.5819     4.7355     6.0992     6.1721 
   H  21    4.4111     4.8667     5.3143     4.5181     5.5946     5.7800 
   H  22    4.3588     4.3305     3.4009     2.5374     4.1856     4.0908 
   H  23    5.1819     5.1994     4.0720     3.1952     5.0154     4.8497 
   H  24    4.9752     5.1661     4.6409     3.7766     5.3401     5.3100 
   H  25    4.2062     4.8703     6.0102     5.2826     5.9965     6.3271 
   H  26    3.3234     4.1101     5.8534     5.2322     5.5336     5.9980 

              H  19      H  20      H  21      H  22      H  23      H  24
              ------------------------------------------------------------------
   H  19    0.0000 
   H  20    0.8769     0.0000 
   H  21    1.2400     0.8768     0.0000 
   H  22    1.3832     2.2177     2.1787     0.0000 
   H  23    1.0474     1.9044     2.2176     0.8768     0.0000 
   H  24    0.1724     1.0475     1.3832     1.2400     0.8767     0.0000 
   H  25    2.3524     1.8239     1.1130     3.1667     3.3180     2.4959 
   H  26    3.0940     2.7677     1.9267     3.5357     3.9170     3.2044 

              H  25      H  26
              ----------------------
   H  25    0.0000 
   H  26    1.0739     0.0000 



ATOMIC CHARGES
   C   1   -0.0316403036
   C   2   -0.0110424785
   C   3   -0.0193468879
   C   4   -0.0428801432
   C   5   -0.0488766366
   C   6   -0.0462164059
   C   7   -0.0676160183
   C   8   -0.0558410352
   C   9   -0.0558410352
   C  10   -0.0986630314
   H  11    0.0309188620
   H  12    0.0345771097
   H  13    0.0273893797
   H  14    0.0273893797
   H  15    0.0268378855
   H  16    0.0268378855
   H  17    0.0271062540
   H  18    0.0271062540
   H  19    0.0238114602
   H  20    0.0238114602
   H  21    0.0238114602
   H  22    0.0238114602
   H  23    0.0238114602
   H  24    0.0238114602
   H  25    0.0534661022
   H  26    0.0534661022


BOND ANGLES
   2    1    4   C3   C3   C3    126.274
   2    1    5   C3   C3   C3    127.500
   2    1   11   C3   C3   HC     63.747
   4    1    5   C3   C3   C3    106.226
   4    1   11   C3   C3   HC    169.979
   5    1   11   C3   C3   HC     63.754
   1    2    7   C3   C3   C2     82.500
   1    2    8   C3   C3   C3    106.500
   1    2    9   C3   C3   C3    178.497
   7    2    8   C2   C3   C3    170.999
   7    2    9   C2   C3   C3     99.003
   8    2    9   C3   C3   C3     71.996
   4    3    6   C3   C3   C3     76.968
   4    3    7   C3   C3   C2    149.357
   4    3   12   C3   C3   HC    143.799
   6    3    7   C3   C3   C2    133.675
   6    3   12   C3   C3   HC     66.832
   7    3   12   C2   C3   HC     66.844
   1    4    3   C3   C3   C3     23.082
   1    4   13   C3   C3   HC    135.391
   1    4   14   C3   C3   HC    112.308
   3    4   13   C3   C3   HC    112.309
   3    4   14   C3   C3   HC    135.389
  13    4   14   HC   C3   HC    112.301
   1    5    6   C3   C3   C3     90.000
   1    5   15   C3   C3   HC    179.974
   1    5   16   C3   C3   HC     89.999
   6    5   15   C3   C3   HC     90.001
   6    5   16   C3   C3   HC    179.974
  15    5   16   HC   C3   HC     90.000
   3    6    5   C3   C3   C3     83.824
   3    6   17   C3   C3   HC     92.054
   3    6   18   C3   C3   HC    175.883
   5    6   17   C3   C3   HC    175.878
   5    6   18   C3   C3   HC     92.059
  17    6   18   HC   C3   HC     92.063
   2    7    3   C3   C2   C3     97.501
   2    7   10   C3   C2   C2    135.000
   3    7   10   C3   C2   C2    127.499
   2    8   22   C3   C3   HC     89.999
   2    8   23   C3   C3   HC    179.974
   2    8   24   C3   C3   HC     90.010
  22    8   23   HC   C3   HC     90.000
  22    8   24   HC   C3   HC    179.974
  23    8   24   HC   C3   HC     89.991
   2    9   19   C3   C3   HC     90.000
   2    9   20   C3   C3   HC    179.974
   2    9   21   C3   C3   HC     89.991
  19    9   20   HC   C3   HC     90.008
  19    9   21   HC   C3   HC    179.974
  20    9   21   HC   C3   HC     90.000
   7   10   25   C2   C2   HC    120.002
   7   10   26   C2   C2   HC    120.001
  25   10   26   HC   C2   HC    119.997


TORSION ANGLES
   4    1    2    7      0.026
   4    1    2    8    179.974
   4    1    2    9    179.974
   5    1    2    7    179.974
   5    1    2    8      0.026
   5    1    2    9      0.026
  11    1    2    7    179.974
  11    1    2    8      0.026
  11    1    2    9      0.026
   2    1    4    3      0.026
   2    1    4   13      0.026
   2    1    4   14    179.974
   5    1    4    3    179.974
   5    1    4   13    179.974
   5    1    4   14      0.026
  11    1    4    3    179.974
  11    1    4   13    179.974
  11    1    4   14      0.026
   2    1    5    6    179.974
   2    1    5   15      0.026
   2    1    5   16      0.026
   4    1    5    6      0.026
   4    1    5   15    179.974
   4    1    5   16    179.974
  11    1    5    6    179.974
  11    1    5   15      0.026
  11    1    5   16      0.026
   1    2    7    3      0.026
   1    2    7   10    179.974
   8    2    7    3    179.974
   8    2    7   10      0.026
   9    2    7    3    179.974
   9    2    7   10      0.026
   1    2    8   22      0.026
   1    2    8   23      0.026
   1    2    8   24    179.974
   7    2    8   22    179.974
   7    2    8   23    179.974
   7    2    8   24      0.026
   9    2    8   22    179.974
   9    2    8   23    179.974
   9    2    8   24      0.026
   1    2    9   19      0.026
   1    2    9   20    179.974
   1    2    9   21    179.974
   7    2    9   19    179.974
   7    2    9   20      0.026
   7    2    9   21      0.026
   8    2    9   19      0.026
   8    2    9   20    179.974
   8    2    9   21    179.974
   6    3    4    1      0.026
   6    3    4   13    179.974
   6    3    4   14      0.026
   7    3    4    1    179.974
   7    3    4   13      0.026
   7    3    4   14    179.974
  12    3    4    1      0.026
  12    3    4   13    179.974
  12    3    4   14      0.026
   4    3    6    5    179.974
   4    3    6   17      0.026
   4    3    6   18    179.974
   7    3    6    5      0.026
   7    3    6   17    179.974
   7    3    6   18      0.026
  12    3    6    5      0.026
  12    3    6   17    179.974
  12    3    6   18      0.026
   4    3    7    2    179.974
   4    3    7   10      0.026
   6    3    7    2      0.026
   6    3    7   10    179.974
  12    3    7    2      0.026
  12    3    7   10    179.974
   1    5    6    3      0.026
   1    5    6   17      0.026
   1    5    6   18    179.974
  15    5    6    3    179.974
  15    5    6   17    179.974
  15    5    6   18      0.026
  16    5    6    3      0.026
  16    5    6   17      0.026
  16    5    6   18    179.974
   2    7   10   25      0.026
   2    7   10   26    179.974
   3    7   10   25    179.974
   3    7   10   26      0.026


CHIRAL ATOMS
   3    7   10   26      0.026
   3    7   10   26      0.026