Toxiferine I

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Properties Simple | Detailed

Formula C40H46N4O2++
IUPAC Name toxiferine i
Molecular Mass 614.819 g·mol−1
Heat of Formation 525.1 ± 16.7 kJ·mol−1
Dipole Moment 3.23 ± 1.08 D
Volume 744.57 Å 3
Surface Area 536.46 Å 2
HOMO Energy -5.06 ± 0.55 eV
LUMO Energy 2.08 ± eV
Point Group Symmetry C1
Synonyms
  • toxiferine
  • toxiferine i, 2,2',16,16'-tetradehydro-16,16',17,17'-tetrahydro-
CAS Number(s)
  • 302-30-7
  • 6888-23-9
InChIKey IIYHWTVUYIYKKG-QQRSFBQTSA-N
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