| Formula |
C29H30F3N5O2 |
| IUPAC Name |
n-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-(5h-pyrrolo[2,3-b]pyridin-1-ium-5-id-4-yloxy)benzamide |
| Molecular Mass |
537.576 g·mol−1 |
| Heat of Formation |
-578.4 ± 16.7 kJ·mol−1 |
| Dipole Moment |
3.08 ± 1.08 D |
| Volume |
616.15 Å 3 |
| Surface Area |
511.36 Å 2 |
| HOMO Energy |
-8.65 ± 0.55 eV |
| LUMO Energy |
2.24 ± eV |
| Point Group Symmetry |
C1
|
| InChIKey |
SMPGEBOIKULBCT-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
F
O
N
|
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