Accuracy
cis-1,2-epoxycycloheptane
795 cis-1,2-Epoxycycloheptane
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Geometry predicted using PM7
ΔHf: -36.4 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
cis-1,2-Epoxycycloheptane
H=-36.4 HR=NIST
C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.50736534 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.53503134 +1 110.8829749 +1 0.0000000 +0 2 1 0
C 1.53482778 +1 112.6502150 +1 83.1601178 +1 3 2 1
C 1.53512823 +1 113.4387725 +1 -71.1472786 +1 4 3 2
C 1.53505858 +1 112.5936068 +1 71.3247427 +1 5 4 3
C 1.49456253 +1 121.2192214 +1 -64.5564922 +1 1 2 3
O 1.43139396 +1 115.9929605 +1 -67.4697010 +1 1 2 7
H 1.09448438 +1 114.9678430 +1 -136.2979333 +1 1 2 8
H 1.10740348 +1 110.0956980 +1 -122.2079987 +1 2 1 3
H 1.11004687 +1 110.0354360 +1 -115.3562849 +1 2 1 10
H 1.10641654 +1 109.9970016 +1 -123.1734107 +1 3 2 4
H 1.10763804 +1 109.2226175 +1 -115.4667286 +1 3 2 12
H 1.10820405 +1 108.9513603 +1 -121.5684592 +1 4 3 5
H 1.10679995 +1 109.8117422 +1 -115.0757837 +1 4 3 14
H 1.10631366 +1 109.9663478 +1 -123.1954204 +1 5 4 6
H 1.10758809 +1 109.0269263 +1 -115.3912504 +1 5 4 16
H 1.10779203 +1 110.1092139 +1 154.5534445 +1 6 5 4
H 1.10948980 +1 110.4744755 +1 -115.9036142 +1 6 5 18
H 1.09416462 +1 119.3105121 +1 155.4021079 +1 7 1 2