Formula |
C17H20N2O2 |
IUPAC Name |
[(1s,5r)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 2h-indol-1-ium-2-ylium-3-carboxylate |
Molecular Mass |
284.353 g·mol−1 |
Heat of Formation |
-198.1 ± 16.7 kJ·mol−1 |
Dipole Moment |
5.53 ± 1.08 D |
Volume |
343.15 Å 3 |
Surface Area |
297.46 Å 2 |
HOMO Energy |
-8.90 ± 0.55 eV |
LUMO Energy |
2.59 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 1h-indole-3-carboxylic acid [(1r,5s)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] ester
- d02130
- ics-205930
- novaban
- pdsp1_000776
- pdsp2_000764
- stock1n-71105
- tropisetron (inn)
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CAS Number(s) |
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InChIKey |
ZNRGQMMCGHDTEI-ITGUQSILSA-N |
QR Code |
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Links |
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Downloads |
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Elements |
H
C
O
N
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