Accuracy

di-n-propylmercury   7891 Di-n-propylmercury

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    #  Species Formula
  7881 (Au(CH3)2(CN))4 (Geo)C12H24N4Au4
  7882 Mercury, dicationHg
  7883 Mercury, cationHg
  7884 Mercury, atomHg
  7885 Mercury hydride (Geo)HHg
  7886 Mercury hydrideHHg
  7887 MethylmercuryCH3Hg
  7888 Dimethylmercury, cationC2H6Hg
  7889 DimethylmercuryC2H6Hg
  7890 DiethylmercuryC4H10Hg
  7891 Di-n-propylmercury C6H14Hg
  7892 DiisopropylmercuryC6H14Hg
  7893 DiphenylmercuryC12H10Hg
  7894 Methylmercuric cyanide (Geo)C2H3NHg
  7895 Methylmercuric cyanideC2H3NHg
  7896 Hg(CN)2 (Geo)C2N2Hg
  7897 Mercuric cyanideC2N2Hg
  7898 Mercury oxide (Geo)OHg
  7899 Hg(II)CN(+) (BAVMUG) (Geo)C9H12NOHg
  7900 Hg(II)CN(+) (BAVMUG)C9H12NOHg
  7901 Hg(II)C2 (BEGVEO) (Geo)C8H6O2Hg


ΔHf: 8.2 kcal/mol,     REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
I.P.: 8.3 eV,     REF: Tl. P. Fahler, J. Ulman, W. A. Nugent, J. K. Kochi, Inorg. Chem. 15, 2544 (1976).
  
 PM7
Di-n-propylmercury
 H=8.2 HR=C&P1970 I=8.29 IR=FUNK1976
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.53477313 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.52969533 +1  109.9567478 +1    0.0000000 +0     2     1     0
 Hg     2.09109196 +1  114.2393770 +1 -179.9622661 +1     3     2     1
  C     2.09104715 +1  179.7383795 +1   19.9884267 +1     4     3     2
  C     1.53011124 +1  114.5102299 +1 -179.6056328 +1     5     4     2
  C     1.53475282 +1  109.8859579 +1 -179.5626968 +1     6     5     4
  H     1.09492497 +1  111.1697786 +1 -179.6821134 +1     7     6     5
  H     1.09515306 +1  111.3826013 +1   60.3751519 +1     7     6     5
  H     1.09519089 +1  111.3833968 +1  -59.7401174 +1     7     6     5
  H     1.10716545 +1  111.3332981 +1   59.5829038 +1     6     5     4
  H     1.10707653 +1  111.3911778 +1  -58.6579524 +1     6     5     4
  H     1.10725953 +1  108.7528500 +1  146.7137533 +1     5     4    12
  H     1.10722946 +1  108.6919865 +1  -98.7951489 +1     5     4    12
  H     1.10729602 +1  109.5836109 +1   57.7053536 +1     3     2     1
  H     1.10728772 +1  109.5831718 +1  -57.5830817 +1     3     2     1
  H     1.10725735 +1  111.3443683 +1   59.2090259 +1     2     3     4
  H     1.10722330 +1  111.3675778 +1  -59.0475823 +1     2     3     4
  H     1.09491915 +1  111.1580038 +1 -179.8039818 +1     1     2     3
  H     1.09516821 +1  111.3872732 +1   60.2641720 +1     1     2     3
  H     1.09518652 +1  111.3965119 +1  -59.8641055 +1     1     2     3