Accuracy

3-chloro-4-methylaniline   2364 3-Chloro-4-methylaniline

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

   

    #  Species Formula
  2354 Cyclo C5H5 beryllium chloride (Geo)H5BeC5Cl
  2355 ChlorobenzeneC6H5Cl
  2356 Chlorobenzene (Geo)C6H5Cl
  2357 Benzyl chlorideC7H7Cl
  2358 1-Chloro-4-ethylbenzeneC8H9Cl
  2359 1-ChloronaphthaleneC10H7Cl
  2360 2-ChloronaphthaleneC10H7Cl
  2361 Cyanogen Chloride (Geo)CNCl
  2362 Cyanogen chlorideCNCl
  2363 Cyanogen chloride (Geo)CNCl
  2364 3-Chloro-4-methylaniline C7H8NCl
  2365 Be(II)N3Cl(+) (VALHEW) (Geo)H27BeC12N3Cl
  2366 Li(I)N3Cl (GAJYAR) (Geo)H27LiC21N3Cl
  2367 Li(I)N3Cl (GAJYAR)H27LiC21N3Cl
  2368 Chlorine oxideOCl
  2369 Chlorine monoxide (Geo)OCl
  2370 Hypochlorous acidHOCl
  2371 Lithium oxychloride (Geo)LiOCl
  2372 Lithium hypochloriteLiOCl
  2373 LiCl.H2OH2LiOCl
  2374 LiCl.H2O (Geo)H2LiOCl


ΔHf: 4.0 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
3-Chloro-4-methylaniline
 H=4 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.40990026 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.38749118 +1  119.9852856 +1    0.0000000 +0     2     1     0
  C     1.40023026 +1  121.1965792 +1    0.4349848 +1     3     2     1
  C     1.39184840 +1  117.3351282 +1   -0.1872390 +1     4     3     2
  C     1.40761858 +1  119.8248719 +1   -0.4723457 +1     1     2     3
  N     1.38975962 +1  120.1318013 +1  176.4594426 +1     1     2     3
 Cl     1.71527199 +1  119.1188603 +1  179.9759191 +1     5     4     3
  C     1.48778199 +1  120.8647792 +1  179.9084249 +1     4     3     2
  H     1.08578752 +1  119.9316149 +1 -179.8324499 +1     2     1     6
  H     1.09062597 +1  119.4904671 +1 -179.6896847 +1     3     2     1
  H     1.08625880 +1  120.5739095 +1  179.7645717 +1     6     1     2
  H     0.99778035 +1  119.0766974 +1  167.6929068 +1     7     1     2
  H     0.99741253 +1  119.0640458 +1   16.8774851 +1     7     1     2
  H     1.10168832 +1  111.5401158 +1  119.7726922 +1     9     4     3
  H     1.09810022 +1  112.5690999 +1   -0.3833945 +1     9     4     3
  H     1.10157408 +1  111.5969658 +1 -120.5777399 +1     9     4     3