Accuracy

1-bromonaphthalene   4120 1-Bromonaphthalene

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

    

    #  Species Formula
  4110 BromomethaneCH3Br
  4111 Bromomethane (Geo)CH3Br
  4112 BromoacetyleneHC2Br
  4113 Bromoacetylene (Geo)HC2Br
  4114 BromoethyleneC2H3Br
  4115 BromoethaneC2H5Br
  4116 3-BromopropeneC3H5Br
  4117 1-BromopropaneC3H7Br
  4118 2-BromopropaneC3H7Br
  4119 BromobenzeneC6H5Br
  4120 1-Bromonaphthalene C10H7Br
  4121 2-BromonaphthaleneC10H7Br
  4122 1-Bromo-dodecaneC12H25Br
  4123 1-Bromo-hexadecaneC16H33Br
  4124 Cyanogen bromide (Geo)CNBr
  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


ΔHf: 41.7 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
1-Bromonaphthalene
 H=41.66 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.41647322 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.42213314 +1  118.5736802 +1    0.0000000 +0     1     2     0
  C     1.37149471 +1  120.7380918 +1   -0.0057594 +1     3     1     2
  C     1.42220576 +1  119.5938651 +1   -0.0036488 +1     2     1     3
  C     1.41623145 +1  120.5387310 +1   -0.0010198 +1     4     3     1
  C     1.42016921 +1  117.2160102 +1  179.9988696 +1     1     2     5
  C     1.36854736 +1  122.5909042 +1    0.0054848 +1     7     1     2
  C     1.42281014 +1  119.9877888 +1  179.9925528 +1     2     1     3
  C     1.41698244 +1  119.3943183 +1   -0.0033234 +1     8     7     1
 Br     1.90245753 +1  120.1814244 +1 -179.9942020 +1     7     1     2
  H     1.09007612 +1  119.7475320 +1 -179.9971520 +1     3     1     2
  H     1.08940295 +1  120.6011322 +1 -179.9995804 +1     4     3     1
  H     1.08901636 +1  118.6289071 +1 -179.9941429 +1     5     2     1
  H     1.08892417 +1  118.9916086 +1 -179.9969783 +1     6     4     3
  H     1.09093358 +1  122.1735338 +1  179.9966581 +1     8     7     1
  H     1.08968718 +1  118.5869065 +1  179.9995811 +1     9     2     1
  H     1.08934842 +1  118.7537819 +1  179.9978237 +1    10     8     7