Formula |
C27H24N2O9 |
IUPAC Name |
(4-nitrocyclohexa-2,5-dien-1-yl) 4-[(s)-bis(1,3-benzodioxol-5-yl)-hydroxy-methyl]piperidine-1-carboxylate |
Molecular Mass |
520.487 g·mol−1 |
Heat of Formation |
-812.9 ± 16.7 kJ·mol−1 |
Dipole Moment |
10.34 ± 1.08 D |
Volume |
568.15 Å 3 |
Surface Area |
475.3 Å 2 |
HOMO Energy |
-9.14 ± 0.55 eV |
LUMO Energy |
1.92 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
SEGYOKHGGFKMCX-UHFFFAOYSA-N |
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Elements |
H
C
O
N
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