(2-Iodo-5-Nitrophenyl)(1-{[(2S)-1-Methyl-2-Piperidinyl]Methyl}-1H-Indol-3-Yl)Methanone

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Properties Simple | Detailed

Formula C22H22IN3O3
IUPAC Name (2-iodo-5-nitro-phenyl)-[1-[[(1r,2s)-1-methyl-2-piperidyl]methyl]-4h-indol-1-ium-4-id-3-yl]methanone
Molecular Mass 503.333 g·mol−1
Heat of Formation 153.7 ± 16.7 kJ·mol−1
Dipole Moment 8.10 ± 1.08 D
Volume 495.29 Å 3
Surface Area 400.35 Å 2
HOMO Energy -8.89 ± 0.55 eV
LUMO Energy -1.55 ± eV
Point Group Symmetry C1
Synonyms
  • (2-iodo-5-nitro-phenyl)-[1-[[(2s)-1-methyl-2-piperidyl]methyl]indol-3-yl]methanone
  • (2-iodo-5-nitro-phenyl)-[1-[[(2s)-1-methylpiperidin-2-yl]methyl]indol-3-yl]methanone
  • (2-iodo-5-nitrophenyl)-[1-[[(2s)-1-methyl-2-piperidinyl]methyl]-3-indolyl]methanone
  • (2-iodo-5-nitrophenyl)-[1-[[(2s)-1-methylpiperidin-2-yl]methyl]indol-3-yl]methanone
InChIKey ZUHIXXCLLBMBDW-INIZCTEOSA-N
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