| Formula |
C11H16N2O2 |
| IUPAC Name |
(3s,4s)-3-ethyl-4-[(3-methylimidazol-3-ium-4-ylium-4-yl)methyl]tetrahydrofuran-2-one |
| Molecular Mass |
208.257 g·mol−1 |
| Heat of Formation |
-293.3 ± 16.7 kJ·mol−1 |
| Dipole Moment |
7.46 ± 1.08 D |
| Volume |
262.2 Å 3 |
| Surface Area |
230.41 Å 2 |
| HOMO Energy |
-9.43 ± 0.55 eV |
| LUMO Energy |
3.41 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- (-)-isopilocarpine
- (3s,4s)-3-ethyl-4-[(1-methyl-1h-imidazol-5-yl)methyl]dihydrofuran-2(3h)-one
- (3s,4s)-3-ethyl-4-[(3-methyl-4-imidazolyl)methyl]-2-tetrahydrofuranone
- (3s,4s)-3-ethyl-4-[(3-methylimidazol-4-yl)methyl]oxolan-2-one
- (3s,4s)-3-ethyl-4-[(3-methylimidazol-4-yl)methyl]tetrahydrofuran-2-one
|
| InChIKey |
QCHFTSOMWOSFHM-SCZZXKLOSA-N |
| QR Code |
Generate QR Code |
| Links |
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|
| DOI |
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| Downloads |
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|
| Elements |
H
C
O
N
|
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