| Formula |
C17H24F2N6O |
| IUPAC Name |
(3,3-difluoropyrrolidin-1-yl)-[(2s,4s)-4-[4-(5h-pyrimidine-1,3-diium-5-id-2-yl)piperazin-1-yl]pyrrolidin-2-yl]methanone |
| Molecular Mass |
366.409 g·mol−1 |
| Heat of Formation |
-392.6 ± 16.7 kJ·mol−1 |
| Dipole Moment |
4.90 ± 1.08 D |
| Volume |
425.09 Å 3 |
| Surface Area |
369.45 Å 2 |
| HOMO Energy |
-8.93 ± 0.55 eV |
| LUMO Energy |
2.77 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- (3,3-difluoro-1-pyrrolidinyl)-[(2s,4s)-4-[4-(2-pyrimidinyl)-1-piperazinyl]-2-pyrrolidinyl]methanone
- (3,3-difluoropyrrolidin-1-yl)-[(2s,4s)-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrolidin-2-yl]methanone
|
| InChIKey |
QWEWGXUTRTXFRF-KBPBESRZSA-N |
| QR Code |
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| Links |
PubChem
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|
| DOI |
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| Downloads |
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|
| Elements |
H
C
N
O
F
|
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