Formula |
C18H17F3N6O |
IUPAC Name |
1-(2h-purin-9-ium-2-ylium-6-yl)-n-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide |
Molecular Mass |
390.362 g·mol−1 |
Heat of Formation |
-488.5 ± 16.7 kJ·mol−1 |
Dipole Moment |
5.49 ± 1.08 D |
Volume |
420.98 Å 3 |
Surface Area |
373.84 Å 2 |
HOMO Energy |
-8.87 ± 0.55 eV |
LUMO Energy |
2.30 ± eV |
Point Group Symmetry |
C1
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Synonyms
|
- 1-(7h-purin-6-yl)-n-[3-(trifluoromethyl)phenyl]isonipecotamide
|
InChIKey |
RSRHDIYCQIWTON-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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