Accuracy

dimethylselenium   4046 Dimethylselenium

(Previous)     (Back)     (Next)         Geometry predicted using PM7

    

    #  Species Formula
  4036 As4O6 (Geo)O6As4
  4037 As(III)As2C (ASMETH) (Geo)C5H15As5
  4038 As(III)As2C (ASMETH)C5H15As5
  4039 Selenium, cationSe
  4040 Selenium, atomSe
  4041 Selenyl radicalHSe
  4042 Hydrogen selenide (Geo)H2Se
  4043 Hydrogen selenideH2Se
  4044 Selenium carbide (Geo)CSe
  4045 Methylselenium hydride (Geo)CH4Se
  4046 Dimethylselenium C2H6Se
  4047 Ethyl selanol (anti) (Geo)C2H6Se
  4048 Dimethylselenium (Geo)C2H6Se
  4049 Selenophene (Geo)C4H4Se
  4050 SelenopheneC4H4Se
  4051 Tetrahydroselenophene (Geo)C4H8Se
  4052 TetrahydroselenopheneC4H8Se
  4053 DiethylseleniumC4H10Se
  4054 SeH-NH2H3NSe
  4055 SeH-NH2 (Geo)H3NSe
  4056 Isoselenocyanic acid (Se=C=N-H) (Geo)HCNSe


Dipole: 1.4 Debye,     REF: A. L. McClellan, "Tables of Experimental Dipole Moments," Vol 2, Rahara Enterprises, El Cerrito, (1974).
I.P.: 8.4 eV,     REF: R. D. Levin, S. G. Lias, "Ionization Potentials and Appearance Potential Measurements," 1971-1981, Natl. Stand. Ref. Data Ser., Natl. Bur. Stand. 71, (1982), Cat. No. C13.48:71.
  
 SYMMETRY PM7
Dimethylselenium
 I=8.4 IR=LLNBS82 D=1.41 DR=MCC1974
 
 Se     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 XX     5.00000000 +0    0.0000000 +0    0.0000000 +0     1     0     0
 XX     5.00000000 +0   90.0000000 +0    0.0000000 +0     2     1     0
  C     1.94533294 +1   49.3573098 +1    0.0000000 +0     1     2     3
  C     1.94533294 +0   49.3573098 +0  180.0000000 +0     1     2     3
 XX     5.00000000 +0  127.6000000 +0    0.0000000 +0     5     1     2
 XX     5.00000000 +0  127.6000000 +0    0.0000000 +0     4     1     2
  H     1.08514988 +1  105.6814320 +1  180.0000000 +0     4     1     5
  H     1.08514988 +0  105.6814320 +0  180.0000000 +0     5     1     4
  H     1.08258327 +1   55.1297463 +1   89.8443844 +1     4     7     1
  H     1.08258327 +0   55.1297463 +0  -89.8443844 +0     4     7     1
  H     1.08258327 +0   55.1297463 +0  -89.8443844 +0     5     6     1
  H     1.08258327 +0   55.1297463 +0   89.8443844 +0     5     6     1
 
   4  1    5
   4  2    5
   6  2    7
   8  1    9
   8  2    9
  10  1   11   12   13
  10  2   11   12   13
  10  3   13
  10 14   11   12