| Formula |
C22H22F3N7O |
| IUPAC Name |
1-[4-(4-amino-1-isopropyl-pyrazolo[3,4-d]pyrimidine-5,7-diium-3a-id-3-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea |
| Molecular Mass |
457.452 g·mol−1 |
| Heat of Formation |
-385.8 ± 16.7 kJ·mol−1 |
| Dipole Moment |
4.08 ± 1.08 D |
| Volume |
503.36 Å 3 |
| Surface Area |
446.19 Å 2 |
| HOMO Energy |
-8.80 ± 0.55 eV |
| LUMO Energy |
2.21 ± eV |
| Point Group Symmetry |
C1
|
| InChIKey |
YSMYSYGEITUPFW-UHFFFAOYSA-O |
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| DOI |
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|
| Elements |
H
C
F
O
N
|
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