4-{(2R)-3-[4-(Diphenylmethyl)-1-Piperazinyl]-2-Hydroxypropoxy}-1H-Indole-2-Carbonitrile

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Properties Simple | Detailed

Formula C29H29N4O2
IUPAC Name 4-[(2r)-3-(4-benzhydrylpiperazin-1-yl)-2-hydroxy-propoxy]-6,7-dihydroindol-1-ium-6,7-diide-2-carbonitrile
Molecular Mass 465.566 g·mol−1
Heat of Formation 208.2 ± 16.7 kJ·mol−1
Dipole Moment 4.36 ± 1.08 D
Volume 576.45 Å 3
Surface Area 496.23 Å 2
HOMO Energy -8.67 ± 0.55 eV
LUMO Energy 2.34 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[(2r)-3-[4-[di(phenyl)methyl]-1-piperazinyl]-2-hydroxypropoxy]-1h-indole-2-carbonitrile
  • 4-[(2r)-3-[4-[di(phenyl)methyl]piperazin-1-yl]-2-hydroxy-propoxy]-1h-indole-2-carbonitrile
  • 4-[(2r)-3-[4-[di(phenyl)methyl]piperazin-1-yl]-2-hydroxypropoxy]-1h-indole-2-carbonitrile
InChIKey BYBYHCOEAFHGJL-RUZDIDTESA-N
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