Formula |
C16H20N2O |
IUPAC Name |
(1r)-2-methyl-1-[(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 |
33.5 ± 16.7 kJ·mol−1 |
Dipole Moment |
2.37 ± 1.08 D |
Volume |
325.44 Å 3 |
Surface Area |
278.13 Å 2 |
HOMO Energy |
-8.17 ± 0.55 eV |
LUMO Energy |
0.18 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- (4r)-(4alpha,5beta(r*))-1,3,4,5-tetrahydro-4-(methylamino)-alpha-(1-methylethenyl)benz(cd)indole-5-methanol
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CAS Number(s) |
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InChIKey |
RYJKMWDFKMAASW-BMFZPTHFSA-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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