4-Nitrophenyl 4-[Bis(1,3-Benzodioxol-5-Yl)(Hydroxy)Methyl]-1-Piperidinecarboxylate

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Formula C27H26N2O9
IUPAC Name (4-nitrocyclohexa-2,5-dien-1-yl) 4-[(s)-bis(1,3-benzodioxol-5-yl)-hydroxy-methyl]piperidine-1-carboxylate
Molecular Mass 522.503 g·mol−1
Heat of Formation 260.3 ± 16.7 kJ·mol−1
Dipole Moment 11.62 ± 1.08 D
Volume 555.23 Å 3
Surface Area 464.88 Å 2
HOMO Energy -9.40 ± 0.55 eV
LUMO Energy -2.37 ± eV
Point Group Symmetry C1
InChIKey SEGYOKHGGFKMCX-UHFFFAOYSA-N
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