Accuracy

acridine    576 Acridine

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

   

    #  Species Formula
   566 1-Adamantyl cyanideC11H15N
   567 1-Adamantyl isocyanideC11H15N
   568 2-Methyl-6-t-butylanilineC11H17N
   569 n-UndecanenitrileC11H21N
   570 CarbazoleC12H9N
   571 2-BiphenylamineC12H11N
   572 BiphenylamineC12H11N
   573 2-n-Butyl-2-methylhexanenitrileC12H23N
   574 6,7-BenzoquinolineC13H9N
   575 a-BenzoquinolineC13H9N
   576 Acridine C13H9N
   577 Benzo[f]quinolineC13H9N
   578 PhenanthridineC13H9N
   579 N-MethylcarbazoleC13H11N
   580 1,2,3,4-Tetrahydro-N-methylcarbazoleC13H15N
   581 9-Ethyl-9H-carbazoleC14H13N
   582 TetradecanenitrileC14H27N
   583 DioctylamineC16H35N
   584 TriphenylamineC18H15N
   585 TrioctylamineC24H51N
   586 Nitrogen (Geo)N2


ΔHf: 65.5 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
Acridine
 H=65.46 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.36038628 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.43088388 +1  120.7997135 +1    0.0000000 +0     2     1     0
  C     1.36226520 +1  120.7932406 +1    0.0002429 +1     3     2     1
  C     1.43164830 +1  120.4632765 +1   -0.0009047 +1     4     3     2
  C     1.44038737 +1  119.9246499 +1    0.0090814 +1     1     2     3
  N     1.34829467 +1  118.3423733 +1  179.9894015 +1     6     1     2
  C     1.34821913 +1  118.9856471 +1  179.9993586 +1     7     6     1
  C     1.43216100 +1  122.3520490 +1   -0.0054078 +1     8     7     6
  C     1.39637280 +1  123.0141130 +1 -179.9859884 +1     5     4     3
  C     1.44059628 +1  118.3466973 +1  179.9962165 +1     8     7     6
  C     1.36030535 +1  119.9022480 +1 -179.9964646 +1    11     8     7
  C     1.43089897 +1  120.8238110 +1   -0.0035049 +1    12    11     8
  C     1.43165627 +1  118.7170637 +1  179.9939907 +1     9     8     7
  H     1.09084323 +1  122.6037196 +1 -179.9935684 +1     1     2     3
  H     1.08954241 +1  121.0460668 +1 -179.9920250 +1     2     1     6
  H     1.08884684 +1  118.0961567 +1  179.9958318 +1     3     2     1
  H     1.08907639 +1  121.3890814 +1  179.9968958 +1     4     3     2
  H     1.09036087 +1  120.1050923 +1   -0.0093516 +1    10     5     4
  H     1.09081316 +1  117.4513128 +1    0.0078366 +1    11     8     7
  H     1.08955832 +1  121.0436389 +1  179.9972161 +1    12    11     8
  H     1.08881766 +1  118.0896107 +1  179.9998692 +1    13    12    11
  H     1.08910773 +1  118.1280266 +1  179.9993158 +1    14     9     8