Accuracy

n,n-dimethyl-1-adamantylcarboxamide   1010 N,N-Dimethyl-1-adamantylcarboxamide

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    #  Species Formula
  1000 (E)-3-(Methylamino)-1-phenyl-but-2-enoneC11H13NO
  1001 1-Propanone, 2-(dimethylamino)-1-phenyl-C11H15NO
  1002 2-Propanamine, 2-methyl-N-(phenylmethylene)-, N-oxideC11H15NO
  1003 1-AdamantanecarboxamideC11H17NO
  1004 N,N-DimethylnonamideC11H23NO
  1005 PhenoxazineC12H9NO
  1006 2-(Diethylamino)-1-phenylethanoneC12H17NO
  1007 9,10-Dihydro-9-oxoacridineC13H9NO
  1008 Benzenamine, N-(phenylmethylene)-, N-oxideC13H11NO
  1009 1-Propanone, 2-(diethylamino)-1-phenyl-C13H19NO
  1010 N,N-Dimethyl-1-adamantylcarboxamide C13H21NO
  1011 4-Isopropylbenzylidene t-butylamine N-oxideC14H21NO
  1012 Nitrous oxide (Geo)N2O
  1013 Nitrous oxideN2O
  1014 UreaCH4N2O
  1015 N-Methyl ureaC2H6N2O
  1016 Dimethyl furazanC4H6N2O
  1017 IsopropylureaC4H10N2O
  1018 5-Amino-3,4-dimethylisoxazoleC5H8N2O
  1019 (1-Methylpropyl) ureaC5H12N2O
  1020 N,N-diethylureaC5H12N2O


ΔHf: -68.4 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
N,N-Dimethyl-1-adamantylcarboxamide
 H=-68.4 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.54393178 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.54171913 +1  109.5736524 +1    0.0000000 +0     2     1     0
  C     1.54105062 +1  109.8687036 +1  -59.6253135 +1     3     2     1
  C     1.54149861 +1  109.5234583 +1   59.2932407 +1     4     3     2
  C     1.54736391 +1  107.5388563 +1   61.1508834 +1     1     2     3
  C     1.53741627 +1  108.8145700 +1 -121.3838825 +1     1     2     6
  H     1.11270311 +1  110.1497960 +1 -119.7780238 +1     1     2     7
  H     1.10250491 +1  110.6484162 +1 -121.9405110 +1     2     1     3
  H     1.10391127 +1  109.8937023 +1 -116.9782245 +1     2     1     9
  H     1.11197822 +1  109.4163173 +1 -120.1702082 +1     3     2     4
  C     1.54006423 +1  109.5168579 +1 -120.1376888 +1     3     2    11
  H     1.10282627 +1  110.3550468 +1 -121.9940366 +1     4     3     5
  H     1.10411586 +1  110.0880744 +1 -116.9604291 +1     4     3    13
  H     1.11262867 +1  109.5579573 +1  179.6775181 +1     5     4     3
  C     1.53806903 +1  109.6772345 +1 -119.8016455 +1     5     4    15
  C     1.51638365 +1  111.7607076 +1  173.9069490 +1     6     1     2
  H     1.11821040 +1  107.2887606 +1 -119.5989911 +1     6     1    17
  H     1.10922609 +1  110.1457597 +1 -177.9194462 +1     7     1     2
  C     1.53690530 +1  109.7836913 +1 -121.5504923 +1     7     1    19
  H     1.10336125 +1  110.0597202 +1 -121.9860686 +1     7     1    20
  H     1.10303862 +1  110.3097496 +1  178.8590945 +1    12     3     2
  H     1.10337639 +1  110.2722019 +1 -117.1365397 +1    12     3    22
  O     1.21797421 +1  123.8318322 +1   24.8997156 +1    17     6     1
  H     1.10737537 +1  109.9982564 +1 -179.6160499 +1    16     5     4
  H     1.10292535 +1  110.2408657 +1 -117.1537379 +1    16     5    25
  H     1.11246103 +1  109.6053012 +1  179.2855850 +1    20     7     1
  N     1.38226565 +1  118.0605209 +1 -179.6101561 +1    17     6    24
  C     1.45921183 +1  124.1992237 +1    1.6312647 +1    28    17     6
  C     1.46350289 +1  119.6516904 +1  178.5407004 +1    28    17    29
  H     1.10463593 +1  111.3870963 +1  -48.7684277 +1    29    28    17
  H     1.10557659 +1  110.9632700 +1  121.2128698 +1    29    28    31
  H     1.10385845 +1  110.9756411 +1  119.6347563 +1    29    28    32
  H     1.10260718 +1  110.7869507 +1  115.5601750 +1    30    28    17
  H     1.11022114 +1  110.4800175 +1 -119.1004733 +1    30    28    34
  H     1.10212055 +1  110.8822836 +1 -119.2246741 +1    30    28    35