(1S)-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 (1s)-1-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-n-methyl-isochromane-6-carboxamide
Molecular Mass 409.521 g·mol−1
Heat of Formation -294.8 ± 16.7 kJ·mol−1
Dipole Moment 3.17 ± 1.08 D
Volume 505.26 Å 3
Surface Area 440.85 Å 2
HOMO Energy -8.13 ± 0.55 eV
LUMO Energy -0.42 ± eV
Point Group Symmetry C1
Synonyms
  • (1s)-1-[2-[4-(4-methoxyphenyl)-1-piperazinyl]ethyl]-n-methyl-6-isochromancarboxamide
  • (1s)-1-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-n-methyl-isochroman-6-carboxamide
  • (1s)-1-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-n-methylisochroman-6-carboxamide
InChIKey UDLSEQDYARNKTL-QHCPKHFHSA-N
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