2-({3-[(3,5-Dibromo-2-Methoxybenzyl)Amino]Propyl}Amino)-4(1H)-Quinolinone

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Properties Simple | Detailed

Formula C20H21Br2N3O2
IUPAC Name 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
Molecular Mass 495.208 g·mol−1
Heat of Formation -56.0 ± 16.7 kJ·mol−1
Dipole Moment 10.49 ± 1.08 D
Volume 475.48 Å 3
Surface Area 353.71 Å 2
HOMO Energy -8.38 ± 0.55 eV
LUMO Energy 2.40 ± eV
Point Group Symmetry C1
InChIKey YDCWHIAOHSUPCM-UHFFFAOYSA-N
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Elements H C O Br N