Formula |
C17H25N3O2 |
IUPAC Name |
(2s)-1-[2-[[(5s,7r)-3-hydroxy-1-adamantyl]amino]acetyl]pyrrolidine-2-carbonitrile |
Molecular Mass |
303.399 g·mol−1 |
Heat of Formation |
-344.2 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.83 ± 1.08 D |
Volume |
378.47 Å 3 |
Surface Area |
318.86 Å 2 |
HOMO Energy |
-9.19 ± 0.55 eV |
LUMO Energy |
0.67 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- (2s)-1-[2-[[(5s,7r)-3-hydroxy-1-adamantyl]amino]-1-oxoethyl]-2-pyrrolidinecarbonitrile
- (2s)-1-[2-[[(5s,7r)-3-hydroxy-1-adamantyl]amino]acetyl]pyrrolidine-2-carbonitrile
- (2s)-1-[2-[[(5s,7r)-3-hydroxy-1-adamantyl]amino]ethanoyl]pyrrolidine-2-carbonitrile
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InChIKey |
SYOKIDBDQMKNDQ-NHMCJKAESA-N |
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Links |
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Elements |
H
C
O
N
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