Accuracy
tetrahydropyran
639 Tetrahydropyran
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Geometry predicted using PM7
ΔHf: -53.4 kcal/mol, REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
Tetrahydropyran
H=-53.4 HR=C&P1970
O -0.01414862 +1 0.03207035 +1 -0.02864492 +1
C 1.40090173 +1 0.01592481 +1 0.01190771 +1
C 1.97083913 +1 1.43770701 +1 0.00039916 +1
C 1.37931423 +1 2.23575089 +1 1.16863379 +1
C -0.15196426 +1 2.17066007 +1 1.11823009 +1
C -0.60221759 +1 0.70758523 +1 1.06698026 +1
H 1.65162575 +1 -0.54406602 +1 -0.90739868 +1
H 1.73710731 +1 -0.55478908 +1 0.89487836 +1
H 3.07256350 +1 1.41399671 +1 0.05829005 +1
H 1.72020900 +1 1.93172729 +1 -0.95768900 +1
H 1.71870988 +1 3.28668446 +1 1.12439745 +1
H 1.74891316 +1 1.83610890 +1 2.13146886 +1
H -0.59589085 +1 2.68102653 +1 1.98976604 +1
H -0.52109959 +1 2.70395063 +1 0.22140242 +1
H -1.68139030 +1 0.60852442 +1 0.84858723 +1
H -0.36390620 +1 0.16945468 +1 2.00043915 +1