| Formula |
C16H16N2O2 |
| IUPAC Name |
(6ar,7r,10ar)-7-methyl-6a,7,8,10a-tetrahydro-6h-indolo[4,3-fg]quinoline-4,7-diium-9-carboxylate |
| Molecular Mass |
268.310 g·mol−1 |
| Heat of Formation |
50.9 ± 16.7 kJ·mol−1 |
| Dipole Moment |
19.21 ± 1.08 D |
| Volume |
312.65 Å 3 |
| Surface Area |
276.69 Å 2 |
| HOMO Energy |
-8.21 ± 0.55 eV |
| LUMO Energy |
-0.94 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- 6-methyl-delta 8,9-ergoline-8-carboxylic acid
- 6-methyl-ergol-8,9-ene-8-carboxylic acid
- ergoline-8-carboxylic acid, 8,9-didehydro-6-methyl-
- paspalic acid
|
| CAS Number(s) |
- 13980-89-7
- 5516-88-1
- 5539-08-2
|
| InChIKey |
RJNCJTROKRDRBW-TZMCWYRMSA-N |
| QR Code |
Generate QR Code |
| Links |
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ChemSpider
|
| DOI |
|
| Downloads |
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|
| Elements |
H
C
O
N
|
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