8-[4-(4-Fluorophenyl)-4-Oxobutyl]-1-(4-Iodophenyl)-1,3,8-Triazaspiro[4.5]Decan-4-One

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Formula C23H25FIN3O2
IUPAC Name 8-[4-(4-fluorophenyl)-4-oxo-butyl]-1-(4-iodophenyl)-1,3,8-triazaspiro[4.5]decan-4-one
Molecular Mass 521.366 g·mol−1
Heat of Formation -248.0 ± 16.7 kJ·mol−1
Dipole Moment 3.92 ± 1.08 D
Volume 518.77 Å 3
Surface Area 384.19 Å 2
HOMO Energy -8.38 ± 0.55 eV
LUMO Energy -0.53 ± eV
Point Group Symmetry C1
Synonyms
  • 1,3,8-triazaspiro(4.5)decan-4-one, 8-(4-(4-fluorophenyl)-4-oxobutyl)-1-(4-iodophenyl)-
  • 4-iodospiperone
  • 8-[4-(4-fluorophenyl)-4-keto-butyl]-1-(4-iodophenyl)-1,3,8-triazaspiro[4.5]decan-4-one
  • 8-[4-(4-fluorophenyl)-4-oxo-butyl]-1-(4-iodophenyl)-1,3,8-triazaspiro[4.5]decan-4-one
CAS Number(s)
  • 85562-22-7
InChIKey NKQFLOMSNYAUKW-UHFFFAOYSA-N
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