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
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Synonyms
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- [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
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InChIKey |
YKTUSHSSKIWDRY-UHFFFAOYSA-N |
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Links |
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Elements |
H
C
O
N
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