Formula |
C21H26N6O2 |
IUPAC Name |
2-[4-[[(1-methyl-2h-indol-1-ium-2-ylium-3-yl)methylamino]methyl]-1-piperidyl]pyrimidine-5-carbohydroxamic acid |
Molecular Mass |
394.470 g·mol−1 |
Heat of Formation |
106.7 ± 16.7 kJ·mol−1 |
Dipole Moment |
7.19 ± 1.08 D |
Volume |
473.96 Å 3 |
Surface Area |
428.02 Å 2 |
HOMO Energy |
-8.44 ± 0.55 eV |
LUMO Energy |
-0.66 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 2-[4-[[(1-methyl-3-indolyl)methylamino]methyl]-1-piperidinyl]-5-pyrimidinecarbohydroxamic acid
- 2-[4-[[(1-methylindol-3-yl)methylamino]methyl]-1-piperidyl]pyrimidine-5-carbohydroxamic acid
- n-hydroxy-2-[4-[[(1-methylindol-3-yl)methylamino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide
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InChIKey |
PAWIYAYFNXQGAP-UHFFFAOYSA-N |
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Links |
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Elements |
H
C
O
N
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