Formula |
C21H30N2O2 |
IUPAC Name |
1-[5-[(3r)-3-amino-4-hydroxy-3-methyl-butyl]-1-methyl-pyrrol-1-ium-5-ylium-2-yl]-4-(p-tolyl)butan-1-one |
Molecular Mass |
342.475 g·mol−1 |
Heat of Formation |
-330.5 ± 16.7 kJ·mol−1 |
Dipole Moment |
2.27 ± 1.08 D |
Volume |
451.69 Å 3 |
Surface Area |
336.8 Å 2 |
HOMO Energy |
-8.91 ± 0.55 eV |
LUMO Energy |
0.15 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 1-[5-[(3r)-3-amino-4-hydroxy-3-methyl-butyl]-1-methyl-pyrrol-2-yl]-4-(4-methylphenyl)butan-1-one
- 1-[5-[(3r)-3-amino-4-hydroxy-3-methylbutyl]-1-methyl-2-pyrrolyl]-4-(4-methylphenyl)butan-1-one
- 1-[5-[(3r)-3-amino-4-hydroxy-3-methylbutyl]-1-methylpyrrol-2-yl]-4-(4-methylphenyl)butan-1-one
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InChIKey |
YXEQXPNSBUIRDZ-OAQYLSRUSA-N |
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Links |
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Downloads |
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Elements |
H
C
O
N
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