Accuracy

acetyl bromide   4135 Acetyl bromide

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    #  Species Formula
  4125 Cyanogen bromideCNBr
  4126 3-Bromo-3-methyldiazirineC2H3N2Br
  4127 Li(I)N3Br (JEPROL) (Geo)H15LiC15N3Br
  4128 Li(I)N3Br (JEPROL)H15LiC15N3Br
  4129 Li(I)N3Br (GAJYEV) (Geo)H27LiC21N3Br
  4130 Li(I)N3Br (GAJYEV)H27LiC21N3Br
  4131 (MeCN)7.Br(-)C14H21N7Br
  4132 Bromine oxideOBr
  4133 Hypobromous acidHOBr
  4134 Bromoketene (Geo)HC2OBr
  4135 Acetyl bromide C2H3OBr
  4136 Acetyl bromide (Geo)C2H3OBr
  4137 Benzoyl bromideC7H5OBr
  4138 BrNO (Geo)NOBr
  4139 Nitrosyl bromideNOBr
  4140 Li(I)O4Br (CESJUF) (Geo)H20LiC8O4Br
  4141 Li(I)O4Br (CESJUF)H20LiC8O4Br
  4142 Li(+)(H2O)5.BrH10LiO5Br
  4143 Li(+)(H2O)5.Br (Geo)H10LiO5Br
  4144 Bromine fluoride (Geo)FBr
  4145 Bromine fluorideFBr


ΔHf: -45.6 kcal/mol,     REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
Dipole: 2.4 Debye,     REF: "CRC Handbook of Chemistry and Physics," 60th Edition, R. C. Weast, (Ed.), CRC Press, Boca Raton, FL, 1980.
I.P.: 10.6 eV,     REF: J. C. Green, M. L. H. Green, P. J. Joachim, A. F. Orchard, D. W. Turner, Philos. Trans. R. Soc. London, Ser. A, 111, A268 (1970).
  
 NOINTER NOXYZ PM7
Acetyl bromide
 H=-45.6 HR=C&P1970 I=10.55 IR=GGJO1970 D=2.43 DR=CRC
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.47495103 +1    0.0000000 +0    0.0000000 +0     1     0     0
  H     1.10492515 +1  112.4357893 +1    0.0000000 +0     2     1     0
  H     1.10546860 +1  111.4132086 +1  120.0852356 +1     2     1     3
  H     1.10516600 +1  112.2726247 +1 -119.9411892 +1     2     1     3
 Br     1.97329364 +1  113.8748974 +1   59.1288102 +1     1     2     3
  O     1.18323025 +1  129.6533579 +1 -120.9499266 +1     1     2     3