| Formula |
C16H16ClFN6O |
| IUPAC Name |
(2s)-2-[[2-(5-chloropyrrolo[2,3-b]pyridin-1-ium-3-yl)-5-fluoro-pyrimidin-4-yl]amino]-n,n-dimethyl-propanamide |
| Molecular Mass |
362.789 g·mol−1 |
| Heat of Formation |
-39.9 ± 16.7 kJ·mol−1 |
| Dipole Moment |
7.72 ± 1.08 D |
| Volume |
402.02 Å 3 |
| Surface Area |
358.59 Å 2 |
| HOMO Energy |
-8.97 ± 0.55 eV |
| LUMO Energy |
1.99 ± eV |
| Point Group Symmetry |
C1
|
| InChIKey |
RYLYZVYXGULJRD-QMMMGPOBSA-N |
| QR Code |
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| Links |
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| DOI |
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| Downloads |
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|
| Elements |
C
F
H
Cl
O
N
|
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