(4S,5S,6S)-4-Cyclopropyl-6-Hydroxy-6-Methyl-2,4,5-Trinitro-Cyclohex-2-En-1-One

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Formula C10H14N3O8
IUPAC Name (4s,5s,6s)-4-cyclopropyl-6-hydroxy-6-methyl-2,4,5-trinitro-cyclohex-2-en-1-one
Molecular Mass 304.233 g·mol−1
Heat of Formation -217.5 ± 16.7 kJ·mol−1
Dipole Moment 7.89 ± 1.08 D
Volume 310.13 Å 3
Surface Area 255.12 Å 2
HOMO Energy -11.13 ± 0.55 eV
LUMO Energy 0.81 ± eV
Point Group Symmetry C1
InChIKey KFEDAUFOMZQING-OPRDCNLKSA-N
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