1-[(2S)-2-(3-Pyridinyl)-1-Pyrrolidinyl]-1-Octanone

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Properties Simple | Detailed

Formula C17H26N2O
IUPAC Name 1-[(2r)-2-(3-pyridyl)pyrrolidin-1-yl]octan-1-one
Molecular Mass 274.401 g·mol−1
Heat of Formation -214.9 ± 16.7 kJ·mol−1
Dipole Moment 6.20 ± 1.08 D
Volume 372.96 Å 3
Surface Area 341.31 Å 2
HOMO Energy -9.34 ± 0.55 eV
LUMO Energy 2.93 ± eV
Point Group Symmetry C1
InChIKey KEQBTQJDZSZAMQ-MRXNPFEDSA-N
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