Toxiferine I

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Properties Simple | Detailed

Formula C33H26N4O2
IUPAC Name toxiferine i
Molecular Mass 510.585 g·mol−1
Heat of Formation 417.8 ± 16.7 kJ·mol−1
Dipole Moment 15.41 ± 1.08 D
Volume 741.97 Å 3
Surface Area 517.04 Å 2
HOMO Energy -5.77 ± 0.55 eV
LUMO Energy 2.35 ± 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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