4-[3-(4-Butyl-1-Piperidinyl)Propyl]-7-Fluoro-2H-1,4-Benzoxazin-3(4H)-One

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Properties Simple | Detailed

Formula C20H29FN2O2
IUPAC Name 4-[3-(4-butyl-1-piperidyl)propyl]-7-fluoro-1,4-benzoxazin-3-one
Molecular Mass 348.455 g·mol−1
Heat of Formation -543.8 ± 16.7 kJ·mol−1
Dipole Moment 3.24 ± 1.08 D
Volume 440.56 Å 3
Surface Area 384.15 Å 2
HOMO Energy -8.70 ± 0.55 eV
LUMO Energy -0.44 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[3-(4-butyl-1-piperidinyl)propyl]-7-fluoro-1,4-benzoxazin-3-one
  • 4-[3-(4-butylpiperidin-1-yl)propyl]-7-fluoro-1,4-benzoxazin-3-one
InChIKey BWAKMLKESHKOHK-UHFFFAOYSA-N
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