3,5-Dibromo-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

Molecule SVG Image

Properties Simple | Detailed

Formula C18H17Br2NO3
IUPAC Name 3,5-dibromo-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 455.140 g·mol−1
Heat of Formation -176.9 ± 16.7 kJ·mol−1
Dipole Moment 5.50 ± 1.08 D
Volume 405.74 Å 3
Surface Area 346.29 Å 2
HOMO Energy -8.66 ± 0.55 eV
LUMO Energy -1.26 ± eV
Point Group Symmetry C1
InChIKey CHIIYNHRBKMNTF-LBPRGKRZSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O Br N