Pimavanserin

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Properties Simple | Detailed

Formula C25H34FN3O2
IUPAC Name 1-[(4-fluorophenyl)methyl]-3-[(4-isobutoxyphenyl)methyl]-1-(1-methyl-4-piperidyl)urea
Molecular Mass 427.555 g·mol−1
Heat of Formation -462.7 ± 16.7 kJ·mol−1
Dipole Moment 5.45 ± 1.08 D
Volume 543.9 Å 3
Surface Area 419.29 Å 2
HOMO Energy -8.60 ± 0.55 eV
LUMO Energy 2.79 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(4-fluorobenzyl)-3-(4-isobutoxybenzyl)-1-(1-methyl-4-piperidyl)urea
  • 1-[(4-fluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)-3-[[4-(2-methylpropoxy)phenyl]methyl]urea
  • 1-[(4-fluorophenyl)methyl]-3-[(4-isobutoxyphenyl)methyl]-1-(1-methyl-4-piperidinyl)urea
InChIKey RKEWSXXUOLRFBX-UHFFFAOYSA-N
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