1-(4-Methoxyphenyl)-6-{4-[1-(1-Pyrrolidinylmethyl)Cyclopropyl]Phenyl}-3-(Trifluoromethyl)-1,4,5,6-Tetrahydro-7H-Pyrazolo[3,4-C]Pyridin-7-One

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Properties Simple | Detailed

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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