Hamacanthin B

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Properties Simple | Detailed

Formula C20H14Br2N4O
IUPAC Name (3s)-5-(6-bromoindol-1-ium-3-yl)-3-(6-bromoindol-3-yl)-2,3-dihydro-1h-pyrazin-6-one
Molecular Mass 486.159 g·mol−1
Heat of Formation 321.8 ± 16.7 kJ·mol−1
Dipole Moment 3.05 ± 1.08 D
Volume 439.27 Å 3
Surface Area 382.22 Å 2
HOMO Energy -8.78 ± 0.55 eV
LUMO Energy -0.76 ± eV
Point Group Symmetry C1
Synonyms
  • (5s)-3,5-bis(6-bromo-1h-indol-3-yl)-5,6-dihydro-1h-pyrazin-2-one
  • (5s)-3,5-bis(6-bromo-1h-indol-3-yl)-5,6-dihydro-2(1h)-pyrazinone
  • 2(1h)-pyrazinone, 3,5-bis(6-bromo-1h-indol-3-yl)-5,6-dihydro-, (5s)-
  • hamacanthine b
CAS Number(s)
  • 160098-93-1
InChIKey MYXLDFYXMNSXDR-GOSISDBHSA-N
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Elements H C O Br N