(1R)-1-{2-[4-(4-Methoxyphenyl)-1-Piperazinyl]Ethyl}-N-Methyl-3,4-Dihydro-1H-Isochromene-6-Carboxamide

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Properties Simple | Detailed

Formula C24H31N3O3
IUPAC Name (1r)-1-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-n-methyl-isochromane-6-carboxamide
Molecular Mass 409.521 g·mol−1
Heat of Formation -303.7 ± 16.7 kJ·mol−1
Dipole Moment 2.96 ± 1.08 D
Volume 504.52 Å 3
Surface Area 443.4 Å 2
HOMO Energy -8.19 ± 0.55 eV
LUMO Energy -0.32 ± eV
Point Group Symmetry C1
Synonyms
  • (1r)-1-[2-[4-(4-methoxyphenyl)-1-piperazinyl]ethyl]-n-methyl-6-isochromancarboxamide
  • (1r)-1-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-n-methyl-isochroman-6-carboxamide
  • (1r)-1-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-n-methylisochroman-6-carboxamide
InChIKey UDLSEQDYARNKTL-HSZRJFAPSA-N
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