Formula |
C18H21N3O3 |
IUPAC Name |
6-(1h-indol-3-ylmethyl)-3-isobutyl-5-methoxy-4-oxido-1h-pyrazin-4-ium-2-one |
Molecular Mass |
327.378 g·mol−1 |
Heat of Formation |
-172.4 ± 16.7 kJ·mol−1 |
Dipole Moment |
5.32 ± 1.08 D |
Volume |
396.91 Å 3 |
Surface Area |
341.54 Å 2 |
HOMO Energy |
-8.81 ± 0.55 eV |
LUMO Energy |
2.33 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 2(1h)-pyrazinone, 6-(1h-indol-3-ylmethyl)-5-methoxy-3-(2-methylpropyl)-, 4-oxide
- 6-(1h-indol-3-ylmethyl)-3-isobutyl-5-methoxy-4-oxido-1h-pyrazin-4-ium-2-one
- 6-(1h-indol-3-ylmethyl)-5-methoxy-3-(2-methylpropyl)-2-(1h)-pyrazinone 4-oxide
- 6-(1h-indol-3-ylmethyl)-5-methoxy-3-(2-methylpropyl)-4-oxido-1h-pyrazin-4-ium-2-one
- opc 15161
- opc-15161
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CAS Number(s) |
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InChIKey |
AFTLYEDBVFGRNK-UHFFFAOYSA-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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