(2S)-1-(4-Methylphenyl)-2-(1-Pyrrolidinyl)-1-Hexanone

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Properties Simple | Detailed

Formula C17H25NO
IUPAC Name (2s)-1-(p-tolyl)-2-pyrrolidin-1-yl-hexan-1-one
Molecular Mass 259.386 g·mol−1
Heat of Formation -166.7 ± 16.7 kJ·mol−1
Dipole Moment 4.65 ± 1.08 D
Volume 355.02 Å 3
Surface Area 315.35 Å 2
HOMO Energy -8.77 ± 0.55 eV
LUMO Energy 2.76 ± eV
Point Group Symmetry C1
InChIKey YOSQVMGMENUCDX-INIZCTEOSA-N
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