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

2-(diacetoxymethyl)-5-nitrofuran   1459 2-(Diacetoxymethyl)-5-nitrofuran

(Previous)     (Back)     (Next)        

   

    #  Species Formula
  1449 Li(I)O6(+) (COLGEP) (Geo)H30LiC12O6
  1450 Li(I)O6(+) (COLGEP)H30LiC12O6
  1451 Li(I)O6(+) (LOLNOP01) (Geo)H30LiC12O6
  1452 Li(I)O6(+) (LOLNOP01)H30LiC12O6
  1453 Li(I)O4 (FECWIT) (Geo)H10LiC6NO6
  1454 Li(I)O4 (FECWIT)H10LiC6NO6
  1455 Trinitromethane (Geo)HCN3O6
  1456 TrinitromethaneHCN3O6
  1457 1,1,1-TrinitroethaneC2H3N3O6
  1458 2,4,6-TrinitrotolueneC7H5N3O6
  1459 2-(Diacetoxymethyl)-5-nitrofuran C9H9NO7
  1460 ASP-ASPC8H11N2O7
  1461 2,4,6-TrinitroanisoleC7H5N3O7
  1462 2,4,6-TrinitrophenetoleC8H7N3O7
  1463 Be(II)O4(2-) (MALBEK) (Geo)H4BeC6O8
  1464 Be(II)O4(2-) (MALBEK)H4BeC6O8
  1465 TetraethylpyromellitateC18H22O8
  1466 Tetrapropyl 1,2,4,5-benzene tetracarboxylateC22H30O8
  1467 Beryllium (EDTA) (Geo)H12BeC10N2O8
  1468 Beryllium (EDTA)H12BeC10N2O8
  1469 TetranitromethaneCN4O8


ΔHf: -184.4 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
2-(Diacetoxymethyl)-5-nitrofuran
 H=-184.4 HR=NIST
  O     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.38781320 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.37776526 +1  111.5877196 +1    0.0000000 +0     2     1     0
  C     1.43026300 +1  105.7165489 +1   -0.0472371 +1     3     2     1
  C     1.37456479 +1  104.7499139 +1    0.0818262 +1     1     2     3
  C     1.48955780 +1  114.8394736 +1 -179.7222464 +1     5     1     2
  O     1.40465183 +1  106.9091054 +1   49.9965691 +1     6     5     1
  C     1.38438788 +1  117.8412637 +1  139.1100897 +1     7     6     5
  C     1.48209341 +1  108.6152410 +1  163.9123783 +1     8     7     6
  O     1.19781908 +1  121.0174603 +1  177.1303263 +1     8     7     9
  O     1.42210910 +1  104.3831660 +1 -114.5132497 +1     6     5     7
  C     1.36455553 +1  119.2588402 +1  160.7170318 +1    11     6     5
  O     1.20083332 +1  122.7336363 +1    4.1196972 +1    12    11     6
  C     1.48724526 +1  108.7205300 +1  179.5897706 +1    12    11    13
  N     1.42769171 +1  115.5609601 +1 -179.8639681 +1     2     1     3
  O     1.21794421 +1  118.6788398 +1    0.2475345 +1    15     2     1
  O     1.22215112 +1  116.7911201 +1  179.9104496 +1    15     2    16
  H     1.07604546 +1  127.6273033 +1  179.9695362 +1     3     2     4
  H     1.07247294 +1  125.8111311 +1  179.8985018 +1     4     3     2
  H     1.11634684 +1  114.6880085 +1 -119.1403267 +1     6     5    11
  H     1.10139560 +1  111.2188224 +1  141.7170408 +1     9     8     7
  H     1.10331439 +1  112.7206829 +1 -121.8789241 +1     9     8    21
  H     1.10677426 +1  109.6466126 +1 -119.0235485 +1     9     8    22
  H     1.10271745 +1  112.9381184 +1   -5.7278663 +1    14    12    11
  H     1.10363983 +1  110.3311279 +1  120.0761474 +1    14    12    24
  H     1.10230616 +1  110.6737806 +1  118.6899551 +1    14    12    25