Isomolpan

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Formula C15H21NO2
IUPAC Name (4s,4ar,10bs)-4-propyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-9-ol
Molecular Mass 247.333 g·mol−1
Heat of Formation -298.7 ± 16.7 kJ·mol−1
Dipole Moment 3.37 ± 1.08 D
Volume 306.17 Å 3
Surface Area 277.24 Å 2
HOMO Energy -8.44 ± 0.55 eV
LUMO Energy 0.06 ± eV
Point Group Symmetry C1
Synonyms
  • (+-)-trans-1,3,4,4a,5,10b-hexahydro-4-propyl-2h-(1)benzopyrano(3,4-b)pyridin-9-ol
  • 2h-(1)benzopyrano(3,4-b)pyridin-9-ol, 1,3,4,4a,5,10b-hexahydro-4-propyl-, trans-(+-)-
  • cgs 15855a
CAS Number(s)
  • 107320-86-5
InChIKey GSLWRDKYYIQKIM-JSGCOSHPSA-N
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