2-[3-[(3,5-Dibromo-2-Methoxy-Phenyl)Methylamino]Propylamino]-1,3,5,6,7,8-Hexahydroquinoline-2,3,4A,5,6,7,8,8A-Octaid-4-One

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Properties Simple | Detailed

Formula C20H30Br2N3O2+
IUPAC Name (2r,4as,8as)-2-[3-[(3,5-dibromo-2-methoxy-phenyl)methylamino]propylamino]-2,3,4a,5,6,7,8,8a-octahydro-1h-quinolin-1-ium-4-one
Molecular Mass 504.279 g·mol−1
Heat of Formation -19.4 ± 16.7 kJ·mol−1
Dipole Moment 9.28 ± 1.08 D
Volume 477.52 Å 3
Surface Area 428.12 Å 2
HOMO Energy -8.72 ± 0.55 eV
LUMO Energy -1.08 ± eV
Point Group Symmetry C1
InChIKey JFHOFDZAFITQTN-UHFFFAOYSA-O
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Elements H C Br O N