(8A'R)-6'-Hydroxy-5'-Methoxy-1'-Methyl-2',3',8',8A'-Tetrahydro-1'H,4H-Spiro[Cyclohexa-2,5-Diene-1,7'-Cyclopenta[Ij]Isoquinolin]-4-One

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Properties Simple | Detailed

Formula C18H19NO3
IUPAC Name (8a'r)-6'-hydroxy-5'-methoxy-1'-methyl-2',3',8',8a'-tetrahydro-1'h,4h-spiro[cyclohexa-2,5-diene-1,7'-cyclopenta[ij]isoquinolin]-4-one
Molecular Mass 297.348 g·mol−1
Heat of Formation -219.8 ± 16.7 kJ·mol−1
Dipole Moment 7.60 ± 1.08 D
Volume 353.63 Å 3
Surface Area 305.14 Å 2
HOMO Energy -8.66 ± 0.55 eV
LUMO Energy -0.31 ± eV
Point Group Symmetry C1
CAS Number(s)
  • 6808-72-6
InChIKey PNJUPRNTSWJWAX-CYBMUJFWSA-N
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