Maedamine B

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Properties Simple | Detailed

Formula C22H22Br3N3O3
IUPAC Name 3-[(3-bromo-4-methoxy-phenyl)methyl]-5-[3,5-dibromo-4-[3-(methylamino)propoxy]phenyl]-1h-pyrazin-2-one
Molecular Mass 616.140 g·mol−1
Heat of Formation -135.3 ± 16.7 kJ·mol−1
Dipole Moment 3.19 ± 1.08 D
Volume 556.88 Å 3
Surface Area 482.85 Å 2
HOMO Energy -8.92 ± 0.55 eV
LUMO Energy 2.01 ± eV
Point Group Symmetry C1
Synonyms
  • 3-(3-bromo-4-methoxy-benzyl)-5-[3,5-dibromo-4-(3-methylaminopropoxy)phenyl]-1h-pyrazin-2-one
  • 3-[(3-bromo-4-methoxy-phenyl)methyl]-5-[3,5-dibromo-4-(3-methylaminopropoxy)phenyl]-1h-pyrazin-2-one
InChIKey NDGJXFQQCGZNIA-UHFFFAOYSA-N
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Elements H C O Br N