3,5-Dibromo-5'-Methoxy-1'-Methyl-2',3',8',8A'-Tetrahydro-1'H-Spiro[Cyclohexa-2,5-Diene-1,7'-Cyclopenta[Ij]Isoquinoline]-4,6'-Diol

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Properties Simple | Detailed

Formula C18H19Br2NO3
IUPAC Name 3,5-dibromo-5'-methoxy-1'-methyl-2',3',8',8a'-tetrahydro-1'h-spiro[cyclohexa-2,5-diene-1,7'-cyclopenta[ij]isoquinoline]-4,6'-diol
Molecular Mass 457.156 g·mol−1
Heat of Formation -237.3 ± 16.7 kJ·mol−1
Dipole Moment 5.46 ± 1.08 D
Volume 416.14 Å 3
Surface Area 349.62 Å 2
HOMO Energy -8.95 ± 0.55 eV
LUMO Energy -0.36 ± eV
Point Group Symmetry C1
InChIKey JUGNWQJYSAIQSO-ULFGMLNVSA-N
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Elements H C O Br N