Accuracy

benzyl chloride   2357 Benzyl chloride

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

    

    #  Species Formula
  2347 2-Chloropropane (Geo)C3H7Cl
  2348 1-Chloro-2-methylpropaneC4H9Cl
  2349 2-Chloro-2-methylpropaneC4H9Cl
  2350 2-Chloro-2-methylpropane (Geo)C4H9Cl
  2351 1-ChloropentaneC5H11Cl
  2352 Be(II)(Cp)Cl (JEFKIO) (Geo)H5BeC5Cl
  2353 Be(II)(Cp)Cl (JEFKIO)H5BeC5Cl
  2354 Cyclo C5H5 beryllium chloride (Geo)H5BeC5Cl
  2355 ChlorobenzeneC6H5Cl
  2356 Chlorobenzene (Geo)C6H5Cl
  2357 Benzyl chloride C7H7Cl
  2358 1-Chloro-4-ethylbenzeneC8H9Cl
  2359 1-ChloronaphthaleneC10H7Cl
  2360 2-ChloronaphthaleneC10H7Cl
  2361 Cyanogen Chloride (Geo)CNCl
  2362 Cyanogen chlorideCNCl
  2363 Cyanogen chloride (Geo)CNCl
  2364 3-Chloro-4-methylanilineC7H8NCl
  2365 Be(II)N3Cl(+) (VALHEW) (Geo)H27BeC12N3Cl
  2366 Li(I)N3Cl (GAJYAR) (Geo)H27LiC21N3Cl
  2367 Li(I)N3Cl (GAJYAR)H27LiC21N3Cl


ΔHf: 4.5 kcal/mol,     REF: P. Winget, A.H.C. Horn, C. Seloki, B. Martin, T. Clark, J. Mol. Model. 9, 408 (2003).
  
 PM7
Benzyl chloride
 H=4.5 HR=WHSMC03
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     2.78717581 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.39403183 +1   60.0374673 +1    0.0000000 +0     1     2     0
  C     1.39389376 +1   60.0397653 +1  179.6003375 +1     1     2     3
  C     1.39260310 +1  120.0427743 +1    0.0327400 +1     3     1     2
  C     1.39273611 +1  120.0406972 +1   -0.0202567 +1     4     1     2
  H     1.08860505 +1  119.9505032 +1 -179.7422169 +1     1     4     2
  H     1.08841374 +1  120.0046481 +1  179.8615912 +1     3     1     5
  H     1.08839595 +1  120.0147800 +1 -179.8743060 +1     4     1     6
  H     1.08883050 +1  120.0014870 +1  179.4580538 +1     5     3     1
  H     1.08880917 +1  119.9839054 +1 -179.4868203 +1     6     4     1
  C     1.48410663 +1  149.9569278 +1  178.7832429 +1     2     3     1
  H     1.10314941 +1  114.0197397 +1  154.0418650 +1    12     2     5
 Cl     1.78747954 +1  106.4234830 +1  117.0685772 +1    12     2    13
  H     1.10322236 +1  113.9854274 +1  117.0725847 +1    12     2    14