5'-Hydroxy-6'-Methoxy-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 C17H17NO3
IUPAC Name 5'-hydroxy-6'-methoxy-2',3',8',8a'-tetrahydro-1'h,4h-spiro[cyclohexa-2,5-diene-1,7'-cyclopenta[ij]isoquinolin]-4-one
Molecular Mass 283.322 g·mol−1
Heat of Formation -207.7 ± 16.7 kJ·mol−1
Dipole Moment 6.86 ± 1.08 D
Volume 330.35 Å 3
Surface Area 284.52 Å 2
HOMO Energy -8.58 ± 0.55 eV
LUMO Energy -0.36 ± eV
Point Group Symmetry C1
InChIKey BYJAWHGHAOZTGW-LBPRGKRZSA-N
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