N-[2-Methyl-5-Phenyl-3-({4-[3-(Trifluoromethyl)Phenyl]-1-Piperazinyl}Methyl)-1H-Pyrrol-1-Yl]Isonicotinamide

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Properties Simple | Detailed

Formula C29H28F3N5O
IUPAC Name n-[5-methyl-2-phenyl-4-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-3h-pyrrol-1-ium-3-id-1-yl]-2,3,5,6-tetrahydropyridine-2,6-diylium-3,5-diide-4-carboxamide
Molecular Mass 519.561 g·mol−1
Heat of Formation 1203.8 ± 16.7 kJ·mol−1
Dipole Moment 7.11 ± 1.08 D
Volume 598.67 Å 3
Surface Area 485.76 Å 2
HOMO Energy -8.63 ± 0.55 eV
LUMO Energy -3.17 ± eV
Point Group Symmetry C1
Synonyms
  • n-(3-{[4-(3-trifluoromethylphenyl)piperazinyl]methyl}-2-methyl-5-phenyl-pyrrolyl)-4-pyridylcarboxamide
InChIKey PRXZOPNJRFEGRH-UHFFFAOYSA-N
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