Accuracy
3-oxabicyclo(3,2,2)nonane
694 3-Oxabicyclo[3,2,2]nonane
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Geometry predicted using PM7
ΔHf: -53.2 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.
3-Oxabicyclo[3,2,2]nonane
H=-53.20 HR=NIST
C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.53572379 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.53688845 +1 113.1333751 +1 0.0000000 +0 2 1 0
C 1.53566127 +1 113.1758310 +1 0.1789728 +1 3 2 1
C 1.53524448 +1 110.7495220 +1 51.7102562 +1 1 2 3
C 1.53531032 +1 110.6790101 +1 -51.9609940 +1 4 3 2
C 1.53915667 +1 111.7911764 +1 123.7230391 +1 4 3 6
O 1.41063862 +1 113.1422172 +1 -91.0287112 +1 7 4 3
C 1.41078388 +1 114.8535434 +1 64.7214155 +1 8 7 4
H 1.11888327 +1 107.8622446 +1 118.3737990 +1 1 2 5
H 1.10545894 +1 109.7284849 +1 123.2385031 +1 2 1 3
H 1.10715526 +1 108.8203347 +1 115.0386863 +1 2 1 11
H 1.10543513 +1 109.9680118 +1 123.1063866 +1 3 2 4
H 1.10721879 +1 109.3115618 +1 115.4566325 +1 3 2 13
H 1.11879469 +1 107.9102360 +1 117.9036062 +1 4 3 7
H 1.10728620 +1 109.0760166 +1 -173.7135384 +1 5 1 2
H 1.10544387 +1 109.2533344 +1 -115.7341165 +1 5 1 16
H 1.10535596 +1 109.2693019 +1 -70.5301222 +1 6 4 3
H 1.10726016 +1 109.0776954 +1 -115.7445430 +1 6 4 18
H 1.10710165 +1 111.2822602 +1 -113.1381865 +1 7 4 8
H 1.10318546 +1 111.7690018 +1 -122.3842597 +1 7 4 20
H 1.10735611 +1 101.1121100 +1 176.3049294 +1 9 8 7
H 1.10291212 +1 109.7549989 +1 -115.3503919 +1 9 8 22