Formula |
C16H20N2O |
IUPAC Name |
(e)-2-methyl-3-[(4r,5r)-4-(methylamino)-4,5-dihydro-3h-benzo[cd]indol-1-ium-5-yl]prop-2-en-1-ol |
Molecular Mass |
256.343 g·mol−1 |
Heat of Formation |
-4.4 ± 16.7 kJ·mol−1 |
Dipole Moment |
2.72 ± 1.08 D |
Volume |
329.19 Å 3 |
Surface Area |
285.91 Å 2 |
HOMO Energy |
-8.33 ± 0.55 eV |
LUMO Energy |
0.02 ± eV |
Point Group Symmetry |
C1
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Synonyms
|
- 2-propen-1-ol, 2-methyl-3-(1,3,4,5-tetrahydro-4-(methylamino)benz(cd)indol-5-yl)-, (4r-(4alpha,5beta(e)))-
- chanoclavin-i
- chanoclavine-i
- isochanoclavin
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CAS Number(s) |
- 479-04-9
- 1349-51-5
- 2390-99-0
- 11012-16-1
|
InChIKey |
SAHHMCVYMGARBT-HEESEWQSSA-N |
QR Code |
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Links |
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DOI |
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Downloads |
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Elements |
H
C
O
N
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