(5R,7S)-3-(4-Chlorophenyl)-N-(4-Pyridinylmethyl)-1-Adamantanecarboxamide

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Properties Simple | Detailed

Formula C23H26ClN2O
IUPAC Name (5r,7s)-3-(4-chlorophenyl)-n-(3h-pyridin-1-ium-3-id-4-ylmethyl)adamantane-1-carboxamide
Molecular Mass 381.918 g·mol−1
Heat of Formation -89.0 ± 16.7 kJ·mol−1
Dipole Moment 3.77 ± 1.08 D
Volume 452.44 Å 3
Surface Area 382.69 Å 2
HOMO Energy -9.48 ± 0.55 eV
LUMO Energy 2.48 ± eV
Point Group Symmetry Cs
Synonyms
  • (5s,7r)-3-(4-chlorophenyl)-n-(4-pyridylmethyl)-1-adamantanecarboxamide
  • (5s,7r)-3-(4-chlorophenyl)-n-(4-pyridylmethyl)adamantane-1-carboxamide
  • (5s,7r)-3-(4-chlorophenyl)-n-(pyridin-4-ylmethyl)adamantane-1-carboxamide
InChIKey CAOTVXGYTWCKQE-BRNYJPRKSA-N
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Elements H C N O Cl