4-{3-[2-(4-Azidophenyl)Ethyl]-1-Phenyl-1,3,8-Triazaspiro[4.5]Dec-8-Yl}-1-(4-Fluorophenyl)-1-Butanone

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Properties Simple | Detailed

Formula C31H35FN6O
IUPAC Name 4-[(3s)-3-[2-(4-azidobenzene-5-id-1-yl)ethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl]-1-(4-fluorobenzene-2,3,5,6-tetraid-1-yl)butan-1-one
Molecular Mass 526.648 g·mol−1
Heat of Formation 244.6 ± 16.7 kJ·mol−1
Dipole Moment 5.12 ± 1.08 D
Volume 649.62 Å 3
Surface Area 502.22 Å 2
HOMO Energy -8.21 ± 0.55 eV
LUMO Energy 2.42 ± eV
Point Group Symmetry C1
Synonyms
  • 1-butanone, 4-(3-(2-(4-azidophenyl)ethyl)-1-phenyl-1,38-triazaspiro(4.5)dec-8-yl)-1-(4-fluorophenyl)-
  • 4-(3-(2-(4-azidophenyl)ethyl)-1-phenyl-1,38-triazaspiro(4.5)dec-8-yl)-1-(4-fluorophenyl)-1-butanone
  • 4-[3-[2-(4-azidophenyl)ethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl]-1-(4-fluorophenyl)butan-1-one
  • azido-n-(4-aminophenethyl)spiperone
  • n3-naps
CAS Number(s)
  • 118797-70-9
InChIKey RQZIYDJHBJUBQQ-UHFFFAOYSA-N
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