Cis-3,4-Dihydrohamacanthin B

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Properties Simple | Detailed

Formula C20H16Br2N4O
IUPAC Name (3s,5r)-3-(6-bromoindol-1-ium-3-yl)-5-(6-bromoindol-3-yl)piperazin-2-one
Molecular Mass 488.175 g·mol−1
Heat of Formation 259.0 ± 16.7 kJ·mol−1
Dipole Moment 6.80 ± 1.08 D
Volume 450.23 Å 3
Surface Area 387.3 Å 2
HOMO Energy -8.67 ± 0.55 eV
LUMO Energy 2.26 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,5r)-3,5-bis(6-bromo-1h-indol-3-yl)-2-piperazinone
  • (3s,5r)-3,5-bis(6-bromo-1h-indol-3-yl)piperazin-2-one
InChIKey OXVVLWOQGFZGEO-OALUTQOASA-N
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Elements H C Br O N