[5-(Aminomethyl)-1'H-Spiro[1-Benzofuran-3,4'-Piperidin]-1'-Yl][5-(Phenylethynyl)-2-Furyl]Methanone

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Formula C26H24N2O3
IUPAC Name [5-(aminomethyl)spiro[2h-benzofuran-3,4'-piperidine]-1'-yl]-[5-(2-phenylethynyl)-2-furyl]methanone
Molecular Mass 412.480 g·mol−1
Heat of Formation 103.6 ± 16.7 kJ·mol−1
Dipole Moment 2.46 ± 1.08 D
Volume 493.64 Å 3
Surface Area 439.96 Å 2
HOMO Energy -8.82 ± 0.55 eV
LUMO Energy -0.81 ± eV
Point Group Symmetry C1
Synonyms
  • [5-(aminomethyl)-1'-spiro[2h-benzofuran-3,4'-piperidine]yl]-[5-(2-phenylethynyl)-2-furyl]methanone
  • [5-(aminomethyl)spiro[2h-1-benzofuran-3,4'-piperidine]-1'-yl]-[5-(2-phenylethynyl)furan-2-yl]methanone
  • [5-(aminomethyl)spiro[2h-benzofuran-3,4'-piperidine]-1'-yl]-[5-(2-phenylethynyl)-2-furyl]methanone
InChIKey YKTUSHSSKIWDRY-UHFFFAOYSA-N
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