Accuracy

methyl azide    684 Methyl Azide

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    #  Species Formula
   674 a-Phenyl-1-piperidineacetonitrileC13H16N2
   675 Li(I)N2C5 (FAGCAR) (Geo)H25LiC14N2
   676 Li(I)N2C5 (FAGCAR)H25LiC14N2
   677 2,2'-BiquinolineC18H12N2
   678 TetraisobutylsuccinonitrileC20H36N2
   679 AzideN3
   680 Azide (Geo)N3
   681 Hydrazoic acidHN3
   682 BorazoleH6B3N3
   683 Borazole (Geo)H6B3N3
   684 Methyl Azide CH3N3
   685 1,3,5-TriazineC3H3N3
   686 s-Triazine (Geo)C3H3N3
   687 EthylenetricarbonitrileHC5N3
   688 1,1,1-EthanetricarbonitrileC5H3N3
   689 TrisdimethylaminoboraneH18BC6N3
   690 1,3,5-TricyanobenzeneC9H3N3
   691 1,1,1-Tricyano-2-phenyl ethaneC11H7N3
   692 2,2',6',2'-TerpyridineC15H11N3
   693 Li(I)N3C (DANKUY) (Geo)H28LiC15N3
   694 Li(I)N3C (DANKUY)H28LiC15N3


Dipole: 2.2 Debye,     REF: R. D. Nelson, D. R. Lide, A. A. Maryott, Nat. Stand. Ref. Data Set., Natl. Bur. Stand. No. 10 (1967).
I.P.: 9.8 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.
  
 PM7
Methyl Azide
 DR=NLM1967 D=2.17 I=9.81 IR=LLNBS82
  N     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  N     1.13820166 +1    0.0000000 +0    0.0000000 +0     1     0     0
  N     1.24284629 +1  167.9992930 +1    0.0000000 +0     2     1     0
  C     1.45899314 +1  120.4587500 +1 -179.7642455 +1     3     2     1
  H     1.10304563 +1  113.4283007 +1  -62.6410118 +1     4     3     2
  H     1.10305735 +1  113.4021571 +1   62.8733789 +1     4     3     2
  H     1.11235948 +1  104.7329321 +1 -179.8918191 +1     4     3     2