Formula |
C28H29F3N4O2 |
IUPAC Name |
1-(4-methoxyphenyl)-6-[4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[3,4-c]pyridin-1-ium-3a-id-7-one |
Molecular Mass |
510.551 g·mol−1 |
Heat of Formation |
-479.9 ± 16.7 kJ·mol−1 |
Dipole Moment |
5.04 ± 1.08 D |
Volume |
592.12 Å 3 |
Surface Area |
499.27 Å 2 |
HOMO Energy |
-8.88 ± 0.55 eV |
LUMO Energy |
2.23 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
VNHRSGCBTKUBAX-UHFFFAOYSA-N |
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Links |
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Elements |
H
C
F
O
N
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