Accuracy

2-nitrofuran   1341 2-Nitrofuran

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    #  Species Formula
  1331 1-Butoxy-3-tert-butyl-2-propanolC11H24O3
  1332 Benzoic acid, anhydrideC14H10O3
  1333 Nitrate radicalNO3
  1334 Nitrate anionNO3
  1335 Nitric acid (Geo)HNO3
  1336 Nitric acidHNO3
  1337 Methyl nitrateCH3NO3
  1338 Oxamic acidC2H3NO3
  1339 Ethyl nitrateC2H5NO3
  1340 SerineC3H7NO3
  1341 2-Nitrofuran C4H3NO3
  1342 ThreonineC4H9NO3
  1343 m-NitrophenolC6H5NO3
  1344 o-NitrophenolC6H5NO3
  1345 p-NitrophenolC6H5NO3
  1346 TyrosineC9H11NO3
  1347 Dinitrogen trioxideN2O3
  1348 Dinitrogen trioxide (Geo)N2O3
  1349 Barbituric acidC4H4N2O3
  1350 AsparagineC4H8N2O3
  1351 GLY-GLYC4H8N2O3


ΔHf: -6.9 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
2-Nitrofuran
 H=-6.9 HR=NIST
  O     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.37244238 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.37458196 +1  111.3350638 +1    0.0000000 +0     2     1     0
  C     1.43332145 +1  106.5012403 +1   -0.0209172 +1     3     2     1
  C     1.39059033 +1  105.2236929 +1   -0.0187346 +1     1     2     3
  N     1.42728375 +1  115.4908437 +1  179.9854606 +1     5     1     2
  O     1.21798958 +1  118.6793540 +1    0.0257865 +1     6     5     1
  O     1.22200299 +1  116.7732606 +1  179.9891476 +1     6     5     7
  H     1.06938622 +1  113.1460952 +1  179.9994381 +1     2     1     3
  H     1.07166524 +1  127.9897725 +1 -179.9974156 +1     3     2     4
  H     1.07596187 +1  126.5667140 +1 -179.9943025 +1     4     3     2