| Formula |
C16H20BrN7O2 |
| IUPAC Name |
5-bromo-n4-[5-(3-methoxypropyl)-1h-pyrazol-3-yl]-n2-[(3-methylisoxazol-5-yl)methyl]pyrimidine-2,4-diamine |
| Molecular Mass |
422.280 g·mol−1 |
| Heat of Formation |
250.0 ± 16.7 kJ·mol−1 |
| Dipole Moment |
3.00 ± 1.08 D |
| Volume |
437.29 Å 3 |
| Surface Area |
412.23 Å 2 |
| HOMO Energy |
-8.88 ± 0.55 eV |
| LUMO Energy |
2.51 ± eV |
| Point Group Symmetry |
C1
|
| InChIKey |
GRMVXENVVBTWDY-UHFFFAOYSA-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
Br
O
N
|
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