[(1R)-5,8-Dichloro-1-Propyl-1,3,4,9-Tetrahydropyrano[3,4-B]Indol-1-Yl]Acetic Acid

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Properties Simple | Detailed

Formula C16H17Cl2NO3
IUPAC Name 2-[(1r)-5,8-dichloro-1-propyl-4,9-dihydro-3h-pyrano[3,4-b]indol-1-yl]acetic acid
Molecular Mass 342.217 g·mol−1
Heat of Formation -565.6 ± 16.7 kJ·mol−1
Dipole Moment 3.15 ± 1.08 D
Volume 375.97 Å 3
Surface Area 317.77 Å 2
HOMO Energy -8.70 ± 0.55 eV
LUMO Energy 2.29 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[(1r)-5,8-dichloro-1-propyl-4,9-dihydro-3h-pyrano[3,4-b]indol-1-yl]acetic acid
  • 2-[(1r)-5,8-dichloro-1-propyl-4,9-dihydro-3h-pyrano[3,4-b]indol-1-yl]ethanoic acid
  • pyrano[3,4-b]indole-1-acetic acid, 5,8-dichloro-1,3,4,9-tetrahydro-1-propyl-, (1r)-
InChIKey DKHFCUNJXIAWGU-MRXNPFEDSA-N
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