N-Desmethyldanofloxacin

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Properties Simple | Detailed

Formula C18H18FN3O3
IUPAC Name 7-[(1s,4s)-2-aza-5-azoniabicyclo[2.2.1]heptan-2-yl]-1-cyclopropyl-6-fluoro-4-oxo-quinoline-3-carboxylate
Molecular Mass 343.352 g·mol−1
Heat of Formation -8.9 ± 16.7 kJ·mol−1
Dipole Moment 41.15 ± 1.08 D
Volume 385.75 Å 3
Surface Area 327.81 Å 2
HOMO Energy -7.09 ± 0.55 eV
LUMO Energy -2.41 ± eV
Point Group Symmetry C1
Synonyms
  • 1-cyclopropyl-7-[(1s,4s)-3,6-diazabicyclo[2.2.1]heptan-6-yl]-6-fluoro-4-keto-quinoline-3-carboxylic acid
  • 1-cyclopropyl-7-[(1s,4s)-3,6-diazabicyclo[2.2.1]heptan-6-yl]-6-fluoro-4-oxo-3-quinolinecarboxylic acid
  • 1-cyclopropyl-7-[(1s,4s)-3,6-diazabicyclo[2.2.1]heptan-6-yl]-6-fluoro-4-oxo-quinoline-3-carboxylic acid
  • 1-cyclopropyl-7-[(1s,4s)-3,6-diazabicyclo[2.2.1]heptan-6-yl]-6-fluoro-4-oxoquinoline-3-carboxylic acid
InChIKey LHZDPJRHQVYKPA-ONGXEEELSA-N
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