Accuracy

di-tert-butyldiazene    651 Di-tert-butyldiazene

(Previous)     (Back)     (Next)         Geometry predicted using PM7

    

    #  Species Formula
   641 p-DicyanobenzeneC8H4N2
   642 PhthalazineC8H6N2
   643 QuinazolineC8H6N2
   644 QuinoxalineC8H6N2
   645 n-PentylmalonodinitrileC8H12N2
   646 TetramethylbutanedinitrileC8H12N2
   647 TetramethylpyrazineC8H12N2
   648 1,4-Dimethyl-2,3-diaza-bicyclo[2.2.2]oct-2-eneC8H14N2
   649 3,4,5,6-Tetrahydro-3,3,6,6-tetramethylpyridazineC8H16N2
   650 Di-n-butyldiazeneC8H18N2
   651 Di-tert-butyldiazene C8H18N2
   652 1,2-DibutylhydrazineC8H20N2
   653 3-QuinolinamineC9H8N2
   654 5-QuinolinamineC9H8N2
   655 6-QuinolinamineC9H8N2
   656 8-QuinolinamineC9H8N2
   657 2-(Diethylamino)-pentanenitrileC9H18N2
   658 2,2-BipyridylC10H8N2
   659 2,4-BipyridylC10H8N2
   660 4,4'-BipyridineC10H8N2
   661 2,3-Dimethyl quinoxalineC10H10N2


ΔHf: -8.7 kcal/mol,     REF: NIST Chemistry WebBook, NIST Standard Reference Database, No. 69; W. G. Mallard, P. J. Linstrom, Eds., National Institute of Standards and Technology, Gaithersberg, http://webbook.nist.gov/chemistry.
  
 PM7
Di-tert-butyldiazene
 H=-8.7 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.53475897 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.53951998 +1  110.1488370 +1    0.0000000 +0     1     2     0
  C     1.54022222 +1  110.0647389 +1  122.1772841 +1     1     2     3
  N     1.48980799 +1  115.2551836 +1  118.8197149 +1     1     2     4
  N     1.23834612 +1  117.7134388 +1   -0.2520404 +1     5     1     2
  C     1.48954275 +1  117.6373874 +1 -179.8245101 +1     6     5     1
  C     1.53486616 +1  115.3217742 +1   -0.8807034 +1     7     6     5
  C     1.54009133 +1  105.3441581 +1  121.5252289 +1     7     6     8
  C     1.53995138 +1  105.3287815 +1  116.9449910 +1     7     6     9
  H     1.09685834 +1  111.2834168 +1  178.7864090 +1     2     1     3
  H     1.09695440 +1  111.2778937 +1 -118.6750922 +1     2     1    11
  H     1.09344165 +1  111.3306254 +1 -120.6612410 +1     2     1    12
  H     1.09728549 +1  111.1964540 +1 -177.9108662 +1     3     1     2
  H     1.09567325 +1  111.3207268 +1  119.6592011 +1     3     1    14
  H     1.09430275 +1  110.8241857 +1  120.2159324 +1     3     1    15
  H     1.09723751 +1  111.1966783 +1  178.1743654 +1     4     1     2
  H     1.09563728 +1  111.3281680 +1 -119.6584014 +1     4     1    17
  H     1.09429135 +1  110.8287287 +1 -120.2107352 +1     4     1    18
  H     1.09677507 +1  111.3023777 +1  -59.9736652 +1     8     7     6
  H     1.09697819 +1  111.2765872 +1  118.6456679 +1     8     7    20
  H     1.09339517 +1  111.3294669 +1  120.6501830 +1     8     7    21
  H     1.09550318 +1  111.3314013 +1  -67.6063187 +1     9     7     6
  H     1.09733601 +1  111.1977344 +1  119.7287130 +1     9     7    23
  H     1.09430796 +1  110.8304846 +1  120.0718336 +1     9     7    24
  H     1.09729322 +1  111.1948313 +1  -52.9249468 +1    10     7     6
  H     1.09565382 +1  111.3142819 +1  119.6130005 +1    10     7    26
  H     1.09421466 +1  110.8362039 +1  120.2167973 +1    10     7    27