Formula |
C19H20F3N3O |
IUPAC Name |
pyrrolidin-1-yl-[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-ium-3-ylium-1-yl]phenyl]methanone |
Molecular Mass |
363.377 g·mol−1 |
Heat of Formation |
-590.9 ± 16.7 kJ·mol−1 |
Dipole Moment |
7.79 ± 1.08 D |
Volume |
410.79 Å 3 |
Surface Area |
363.19 Å 2 |
HOMO Energy |
-9.47 ± 0.55 eV |
LUMO Energy |
1.95 ± eV |
Point Group Symmetry |
C1
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Synonyms
|
- 1-pyrrolidinyl-[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]methanone
|
InChIKey |
PMXYSSZJPIWCHI-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
N
O
F
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