| Formula |
C20H20BrN7O |
| IUPAC Name |
5-bromo-n2-[(3-methylisoxazol-5-yl)methyl]-n4-[5-(2-phenylethyl)-1h-pyrazol-3-yl]pyrimidine-2,4-diamine |
| Molecular Mass |
454.323 g·mol−1 |
| Heat of Formation |
519.9 ± 16.7 kJ·mol−1 |
| Dipole Moment |
2.50 ± 1.08 D |
| Volume |
478.79 Å 3 |
| Surface Area |
441.45 Å 2 |
| HOMO Energy |
-8.90 ± 0.55 eV |
| LUMO Energy |
1.47 ± eV |
| Point Group Symmetry |
C1
|
| InChIKey |
BUSNTKOLFQPMBH-UHFFFAOYSA-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
Br
O
N
|
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