N-[2-Methyl-5-Phenyl-3-({4-[3-(Trifluoromethyl)Phenyl]-1-Piperazinyl}Methyl)-1H-Pyrrol-1-Yl]Isonicotinamide
Properties
Property | Value |
---|---|
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 |
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InChIKey | PRXZOPNJRFEGRH-UHFFFAOYSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C N O F |