PM7 Accuracy Date:Mon Feb 11 04:20:05 2019

2,2'-biquinoline    679 2,2'-Biquinoline

(Previous)     (Back)     (Next)        

   

    #  Species Formula
   669 PhenazoneC12H8N2
   670 cis-AzobenzeneC12H10N2
   671 Diphenyl diazeneC12H10N2
   672 4,4'-Dimethyl-2,2'-bipyridineC12H12N2
   673 1,(1-Piperidinyl) cyclohexanecarbonitrileC12H20N2
   674 Li(I)(Cp)N2 (SIJNII) (Geo)H23LiC12N2
   675 Li(I)(Cp)N2 (SIJNII)H23LiC12N2
   676 a-Phenyl-1-piperidineacetonitrileC13H16N2
   677 Li(I)N2C5 (FAGCAR) (Geo)H25LiC14N2
   678 Li(I)N2C5 (FAGCAR)H25LiC14N2
   679 2,2'-Biquinoline C18H12N2
   680 TetraisobutylsuccinonitrileC20H36N2
   681 AzideN3
   682 Azide (Geo)N3
   683 Hydrazoic acidHN3
   684 BorazoleH6B3N3
   685 Borazole (Geo)H6B3N3
   686 Methyl AzideCH3N3
   687 1,3,5-TriazineC3H3N3
   688 s-Triazine (Geo)C3H3N3
   689 EthylenetricarbonitrileHC5N3


ΔHf: 101.8 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
2,2'-Biquinoline
 H=101.8 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.36918025 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.42735065 +1  119.5537163 +1    0.0000000 +0     2     1     0
  C     1.41831765 +1  119.8668673 +1   -0.0232971 +1     3     2     1
  C     1.41930912 +1  119.0178264 +1   -0.0149187 +1     4     3     2
  C     1.37096009 +1  120.2094195 +1    0.0223942 +1     5     4     3
  N     1.37225730 +1  118.2627995 +1  179.9859812 +1     3     2     4
  C     1.32694609 +1  118.9780491 +1 -179.9712041 +1     7     3     2
  C     1.43005956 +1  122.6546211 +1   -0.0136716 +1     8     7     3
  C     1.36918243 +1  118.9281458 +1    0.0007915 +1     9     8     7
  C     1.48682670 +1  116.7053872 +1 -179.9989413 +1     8     7     9
  C     1.43009207 +1  120.6204591 +1    0.2287195 +1    11     8     7
  C     1.36915623 +1  118.9205266 +1 -179.9953039 +1    12    11     8
  C     1.42124826 +1  119.6737436 +1    0.0049334 +1    13    12    11
  C     1.41828729 +1  117.8929189 +1    0.0026934 +1    14    13    12
  N     1.32687289 +1  116.7155261 +1 -179.9848976 +1    11     8    12
  C     1.42727033 +1  119.8635899 +1  179.9863045 +1    15    14    13
  C     1.36915650 +1  119.5587450 +1    0.0061820 +1    17    15    14
  C     1.41967930 +1  120.6814516 +1    0.0102567 +1    18    17    15
  C     1.37100577 +1  120.6671882 +1   -0.0058242 +1    19    18    17
  H     1.08953087 +1  120.6763341 +1 -179.9828327 +1     1     2     3
  H     1.09042210 +1  122.1999842 +1  179.9856878 +1     2     1     3
  H     1.08891988 +1  118.8090138 +1 -179.9961148 +1     5     4     6
  H     1.08908823 +1  120.7333433 +1 -179.9940707 +1     6     5     4
  H     1.09274490 +1  118.8418495 +1  179.9914265 +1     9     8    10
  H     1.08961526 +1  121.2083227 +1 -179.9987523 +1    10     9     8
  H     1.09268664 +1  118.8524297 +1  179.9949999 +1    12    11    13
  H     1.08962858 +1  121.1957903 +1  179.9947245 +1    13    12    14
  H     1.09042532 +1  118.2294169 +1 -179.9968409 +1    17    15    18
  H     1.08954338 +1  120.6905464 +1 -179.9991337 +1    18    17    19
  H     1.08912108 +1  118.6072644 +1  179.9972830 +1    19    18    20
  H     1.08892432 +1  120.9876805 +1  179.9943493 +1    20    19    18