(+)-Febrifugine

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Properties Simple | Detailed

Formula C16H19N3O3
IUPAC Name 3-[3-[(2r,3s)-3-hydroxy-2-piperidyl]-2-oxo-propyl]quinazolin-4-one
Molecular Mass 301.340 g·mol−1
Heat of Formation -405.3 ± 16.7 kJ·mol−1
Dipole Moment 2.90 ± 1.08 D
Volume 356.45 Å 3
Surface Area 284.7 Å 2
HOMO Energy -9.17 ± 0.55 eV
LUMO Energy -0.75 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[3-[(2r,3s)-3-hydroxy-2-piperidinyl]-2-oxopropyl]-4-quinazolinone
  • 3-[3-[(2r,3s)-3-hydroxy-2-piperidyl]-2-keto-propyl]quinazolin-4-one
  • 3-[3-[(2r,3s)-3-hydroxy-2-piperidyl]-2-oxo-propyl]quinazolin-4-one
  • 3-[3-[(2r,3s)-3-hydroxypiperidin-2-yl]-2-oxo-propyl]quinazolin-4-one
InChIKey FWVHWDSCPKXMDB-CABCVRRESA-N
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