5-{[(2R,3R)-3-{[3,5-Bis(Trifluoromethyl)Benzyl]Oxy}-2-Phenyl-1-Piperidinyl]Methyl}-1,2-Dihydro-3H-1,2,4-Triazol-3-One
Properties
Property | Value |
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Formula | C23H24F6N4O2 |
IUPAC Name | 5-[[(2r,3r)-3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpiperidin-1-yl]methyl]-1,2-dihydro-1,2,4-triazol-3-one |
Molecular Mass | 502.453 g·mol−1 |
Heat of Formation | -1284.0 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.24 ± 1.08 D |
Volume | 542.23 Å 3 |
Surface Area | 407.15 Å 2 |
HOMO Energy | -9.50 ± 0.55 eV |
LUMO Energy | 1.76 ± eV |
Point Group Symmetry | C1 |
Synonyms |
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InChIKey | ZUWHBRRBKKTMQO-UYAOXDASSA-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 |