Accuracy

1-Hydroxy-2,2,6,6-tetramethyl-4-piperidinol   1269 1-Hydroxy-2,2,6,6-tetramethyl-4-piperidinol

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

    

    #  Species Formula
  1259 2-Nitro-m-xyleneC8H9NO2
  1260 N-PhenylglycineC8H9NO2
  1261 8-Aminocaprylic acidC8H17NO2
  1262 2-Methyl-1H-isoindole-1,3(2H)-dioneC9H7NO2
  1263 NitromesityleneC9H11NO2
  1264 PhenylalanineC9H11NO2
  1265 Phenylalanine Ca-Cb-Cc should be 113.6 (Geo)C9H11NO2
  1266 2,2,6,6-Tetramethyl-4-oxo-1-piperidinyloxyC9H16NO2
  1267 1-Hydroxy-2,2,6,6-tetramethyl-4-piperidinoneC9H17NO2
  1268 4-Hydroxy-2,2,6,6-tetramethyl-1-piperidinyloxyC9H18NO2
  1269 1-Hydroxy-2,2,6,6-tetramethyl-4-piperidinol C9H19NO2
  1270 1-Nitroso-2-naphthalenolC10H7NO2
  1271 1-Nitroso-4-naphthalenolC10H7NO2
  1272 2-Nitroso-1-naphthalenolC10H7NO2
  1273 N,N-Dimethyl 4-methoxybenzamideC10H13NO2
  1274 1-NitroadamantaneC10H15NO2
  1275 2-NitroadamantaneC10H15NO2
  1276 Phenol, 2-[(phenylimino)methyl]-, N-oxideC13H11NO2
  1277 Benzenamine, N-[(4-methoxyphenyl)methylene]-, N-oxideC14H13NO2
  1278 N-(3-Phenoxy-2-hydroxypropyl)anilineC15H17NO2
  1279 NH2-NO2 (Geo)H2N2O2


ΔHf: -82.5 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
1-Hydroxy-2,2,6,6-tetramethyl-4-piperidinol
 H=-82.5 HR=NIST
  N     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.49240368 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.54255804 +1  108.5943955 +1    0.0000000 +0     2     1     0
  C     1.53006122 +1  111.6512458 +1  -52.6561892 +1     3     2     1
  C     1.53176499 +1  110.2138216 +1   57.5833576 +1     4     3     2
  C     1.49130783 +1  118.6785769 +1   52.9564461 +1     1     2     3
  C     1.54446122 +1  105.4420797 +1  116.3167438 +1     2     1     3
  C     1.54049264 +1  115.2158477 +1  119.4231499 +1     2     1     7
  C     1.54422146 +1  105.5648359 +1 -169.6645172 +1     6     1     2
  C     1.54060571 +1  115.3818353 +1 -119.5516180 +1     6     1     9
  O     1.39593133 +1  109.3781653 +1  126.5264041 +1     1     2     6
  O     1.41977070 +1  104.1819547 +1  117.6841082 +1     4     3     5
  H     1.10504667 +1  110.4956187 +1 -123.1137451 +1     3     2     4
  H     1.11087726 +1  110.0302229 +1 -115.9538402 +1     3     2    13
  H     1.10245255 +1  111.1691192 +1  178.9391435 +1     5     4     3
  H     1.11089504 +1  108.7542942 +1 -116.1905408 +1     5     4    15
  H     1.09846274 +1  110.5809290 +1  -51.8461564 +1     7     2     1
  H     1.09660819 +1  110.9535508 +1  117.5933174 +1     7     2    17
  H     1.09165334 +1  111.6327326 +1  121.4673350 +1     7     2    18
  H     1.09485005 +1  111.7418489 +1  -53.9224007 +1     8     2     1
  H     1.09310582 +1  112.4519804 +1  122.0777985 +1     8     2    20
  H     1.09712800 +1  110.3889041 +1  119.3434510 +1     8     2    21
  H     1.09687436 +1  110.9432551 +1  -66.1467400 +1     9     6     1
  H     1.09835891 +1  110.6416168 +1  117.5907939 +1     9     6    23
  H     1.09143687 +1  111.7036720 +1  121.1324299 +1     9     6    24
  H     1.09351467 +1  112.4489959 +1  -67.6352284 +1    10     6     1
  H     1.09516863 +1  111.6952693 +1  121.6800783 +1    10     6    26
  H     1.09643390 +1  110.5302640 +1  118.6564976 +1    10     6    27
  H     0.97369440 +1  111.0348297 +1 -176.5256152 +1    12     4     3
  H     1.11064135 +1  112.4385243 +1  116.2393725 +1     4     3    12
  H     1.00081500 +1  109.9193946 +1  -66.6246873 +1    11     1     2