1-(4-Fluorophenyl)-4-{4-Hydroxy-4-[4-(~122~I)Iodophenyl]-1-Piperidinyl}-1-Butanone

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Properties Simple | Detailed

Formula C21H23FINO2
IUPAC Name 1-(4-fluorophenyl)-4-[4-hydroxy-4-(4-iodophenyl)-1-piperidyl]butan-1-one
Molecular Mass 467.316 g·mol−1
Heat of Formation -326.0 ± 16.7 kJ·mol−1
Dipole Moment 4.83 ± 1.08 D
Volume 462.41 Å 3
Surface Area 402.12 Å 2
HOMO Energy -8.75 ± 0.55 eV
LUMO Energy -0.87 ± eV
Point Group Symmetry C1
Synonyms
  • iodoperidol
CAS Number(s)
  • 109852-09-7
InChIKey JPEHWRTVXAFUAU-GBNGAQPWSA-N
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