| Formula |
C17H18ClN7O |
| IUPAC Name |
(1s,5r)-3-(5-chloro-6-ethyl-2-pyrimidin-5-yloxy-pyrrolo[2,3-d]pyrimidin-7-ium-6-ylium-4-yl)-3-azabicyclo[3.1.0]hexan-6-amine |
| Molecular Mass |
371.824 g·mol−1 |
| Heat of Formation |
346.1 ± 16.7 kJ·mol−1 |
| Dipole Moment |
4.14 ± 1.08 D |
| Volume |
409.36 Å 3 |
| Surface Area |
367.08 Å 2 |
| HOMO Energy |
-8.48 ± 0.55 eV |
| LUMO Energy |
2.36 ± eV |
| Point Group Symmetry |
C1
|
| InChIKey |
YZRGALHCPBRTES-MSRIBSCDSA-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
Cl
|
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