| Formula |
C22H31FN4O4 |
| IUPAC Name |
tert-butyl n-[2-[(1s,5r)-7-[2-(4-cyano-2-fluoro-phenoxy)ethyl]-9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl]ethyl]carbamate |
| Molecular Mass |
434.504 g·mol−1 |
| Heat of Formation |
-748.4 ± 16.7 kJ·mol−1 |
| Dipole Moment |
7.90 ± 1.08 D |
| Volume |
535.62 Å 3 |
| Surface Area |
397.19 Å 2 |
| HOMO Energy |
-8.84 ± 0.55 eV |
| LUMO Energy |
2.18 ± eV |
| Point Group Symmetry |
C1
|
| InChIKey |
BLLNYXOLLAVTRF-HDICACEKSA-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
N
O
F
|
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