Palovarotene

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Properties Simple | Detailed

Formula C27H30N2O2
IUPAC Name 4-[(e)-2-[1,1,4,4-tetramethyl-7-(pyrazol-1-ium-2-id-1-ylmethyl)tetralin-6-yl]vinyl]benzoic acid
Molecular Mass 414.539 g·mol−1
Heat of Formation -109.7 ± 16.7 kJ·mol−1
Dipole Moment 6.47 ± 1.08 D
Volume 533.42 Å 3
Surface Area 432.3 Å 2
HOMO Energy -9.36 ± 0.55 eV
LUMO Energy -0.70 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[(e)-2-[1,1,4,4-tetramethyl-7-(1-pyrazolylmethyl)-6-tetralinyl]vinyl]benzoic acid
  • 4-[(e)-2-[1,1,4,4-tetramethyl-7-(pyrazol-1-ylmethyl)tetralin-6-yl]vinyl]benzoic acid
  • 4-[(e)-2-[5,5,8,8-tetramethyl-3-(pyrazol-1-ylmethyl)-6,7-dihydronaphthalen-2-yl]ethenyl]benzoic acid
InChIKey YTFHCXIPDIHOIA-DHZHZOJOSA-N
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