| Formula |
C21H25ClN6O2 |
| IUPAC Name |
4-amino-n-[(1s)-1-(4-chlorophenyl)-3-hydroxy-propyl]-1-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide |
| Molecular Mass |
428.915 g·mol−1 |
| Heat of Formation |
-120.3 ± 16.7 kJ·mol−1 |
| Dipole Moment |
5.71 ± 1.08 D |
| Volume |
498.81 Å 3 |
| Surface Area |
405.39 Å 2 |
| HOMO Energy |
-8.44 ± 0.55 eV |
| LUMO Energy |
2.63 ± eV |
| Point Group Symmetry |
C1
|
| InChIKey |
JDUBGYFRJFOXQC-KRWDZBQOSA-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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