Formula |
C20H19N3O3 |
IUPAC Name |
(3s,6s)-3-[(4-hydroxyphenyl)methyl]-6-(indol-1-ium-3-ylmethyl)piperazine-2,5-dione |
Molecular Mass |
349.383 g·mol−1 |
Heat of Formation |
-291.7 ± 16.7 kJ·mol−1 |
Dipole Moment |
2.52 ± 1.08 D |
Volume |
412.58 Å 3 |
Surface Area |
347.14 Å 2 |
HOMO Energy |
-8.77 ± 0.55 eV |
LUMO Energy |
2.67 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- (3s,6s)-3-(4-hydroxybenzyl)-6-(1h-indol-3-ylmethyl)piperazine-2,5-quinone
- (3s,6s)-3-[(4-hydroxyphenyl)methyl]-6-(1h-indol-3-ylmethyl)piperazine-2,5-dione
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InChIKey |
ZJDMXAAEAVGGSK-ROUUACIJSA-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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