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

5-aminovaleric acid   1237 5-Aminovaleric acid

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    #  Species Formula
  1227 4-Aminobutanoic acidC4H9NO2
  1228 Isobutyl nitriteC4H9NO2
  1229 n-Butyl nitriteC4H9NO2
  1230 Sec-butyl nitriteC4H9NO2
  1231 t-Butyl nitriteC4H9NO2
  1232 DiethanolamineC4H11NO2
  1233 N-MethylmaleimideC5H5NO2
  1234 GlutarimideC5H7NO2
  1235 N-MethylsuccinimideC5H7NO2
  1236 ProlineC5H9NO2
  1237 5-Aminovaleric acid C5H11NO2
  1238 N,N-Dimethylglycine methyl esterC5H11NO2
  1239 tert-Pentyl nitriteC5H11NO2
  1240 ValineC5H11NO2
  1241 1,1-Dimethoxy-trimethylamineC5H13NO2
  1242 NiacinC6H5NO2
  1243 NitrobenzeneC6H5NO2
  1244 ortho Nitroso-phenolC6H5NO2
  1245 Ethyl 2-cyanopropionateC6H9NO2
  1246 Ethyl N,N-dimethylglycinateC6H13NO2
  1247 Hexanoic acid, 6-amino-C6H13NO2


ΔHf: -110.0 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
5-Aminovaleric acid
 H=-109.98 HR=NIST
  N     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.48062770 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.53945436 +1  108.8900922 +1    0.0000000 +0     2     1     0
  C     1.52993786 +1  110.2100354 +1 -175.9547155 +1     3     2     1
  C     1.53107104 +1  110.5586909 +1  179.1595166 +1     4     3     2
  C     1.49352413 +1  110.1744869 +1  179.1633936 +1     5     4     3
  O     1.36127392 +1  110.0305656 +1  178.6990910 +1     6     5     4
  O     1.20189560 +1  129.5371653 +1  179.9553623 +1     6     5     7
  H     1.00600240 +1  112.0048600 +1  -60.1036768 +1     1     2     3
  H     1.00621677 +1  111.8211849 +1 -122.5554310 +1     1     2     9
  H     1.11320649 +1  107.6157701 +1 -119.1675201 +1     2     1     3
  H     1.11055281 +1  112.9059985 +1 -117.9719984 +1     2     1    11
  H     1.10871031 +1  109.1173796 +1  121.8380316 +1     3     2     4
  H     1.10503720 +1  110.2446091 +1  115.6786717 +1     3     2    13
  H     1.10913583 +1  110.4221464 +1 -121.9235633 +1     4     3     5
  H     1.10884076 +1  110.5551008 +1 -115.9358950 +1     4     3    15
  H     1.11230123 +1  110.9486290 +1  121.9500702 +1     5     4     6
  H     1.11214147 +1  111.0191985 +1  116.2163519 +1     5     4    17
  H     0.98729772 +1  113.8620542 +1  179.9850878 +1     7     6     5