| Formula |
C21H29N5O3 |
| IUPAC Name |
2-[4-[[2-[(2s,5r)-2-(aminomethyl)-5-ethynyl-pyrrolidin-1-yl]-2-oxo-ethyl]amino]-4-methyl-1-piperidyl]pyridine-4-carboxylic acid |
| Molecular Mass |
399.487 g·mol−1 |
| Heat of Formation |
-222.4 ± 16.7 kJ·mol−1 |
| Dipole Moment |
6.26 ± 1.08 D |
| Volume |
474.45 Å 3 |
| Surface Area |
392.84 Å 2 |
| HOMO Energy |
-8.62 ± 0.55 eV |
| LUMO Energy |
2.34 ± eV |
| Point Group Symmetry |
C1
|
| InChIKey |
SDLYKSXRUIHFDH-IRXDYDNUSA-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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