Hydrachine A

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Properties Simple | Detailed

Formula C17H19N3O3
IUPAC Name 3-[(4r,5r,9s,9ar)-9-hydroxy-2-oxo-1,3,4,6,7,8,9,9a-octahydroquinolizin-4-yl]quinazolin-4-one
Molecular Mass 313.351 g·mol−1
Heat of Formation -356.6 ± 16.7 kJ·mol−1
Dipole Moment 4.64 ± 1.08 D
Volume 362.69 Å 3
Surface Area 310.97 Å 2
HOMO Energy -9.28 ± 0.55 eV
LUMO Energy -0.82 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[(4r,9s,9ar)-9-hydroxy-2-keto-quinolizidin-4-yl]quinazolin-4-one
  • 3-[(4r,9s,9ar)-9-hydroxy-2-oxo-1,3,4,6,7,8,9,9a-octahydroquinolizin-4-yl]-4-quinazolinone
  • 3-[(4r,9s,9ar)-9-hydroxy-2-oxo-1,3,4,6,7,8,9,9a-octahydroquinolizin-4-yl]quinazolin-4-one
InChIKey AYAIVALJKWTZJV-OWCLPIDISA-N
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