2-Methoxycarbonyl-1,4-Dinitrocubane

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Properties Simple | Detailed

Formula C10H8N2O6
IUPAC Name methyl (3s,5r,6s,8r)-2,7-dinitrocubane-1-carboxylate
Molecular Mass 252.180 g·mol−1
Heat of Formation 188.1 ± 16.7 kJ·mol−1
Dipole Moment 1.68 ± 1.08 D
Volume 260.63 Å 3
Surface Area 234.95 Å 2
HOMO Energy -11.28 ± 0.55 eV
LUMO Energy 2.17 ± eV
Point Group Symmetry C1
InChIKey CALZAILSGDZPNU-ANRCHLOJSA-N
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