1-[1-[2-Methoxy-4-[[1-[(2-Methyl-1-Oxido-Piperidine-2,3,4,5,6-Pentaid-3-Yl)Methyl]-4-Piperidyl]Oxy]Benzoyl]-4-Piperidyl]-4H-3,1-Benzoxazin-2-One

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Properties Simple | Detailed

Formula C33H44N4O6+
IUPAC Name 1-[1-[2-methoxy-4-[[1-[(2-methyl-1-oxido-piperidine-2,3,4,5,6-pentaid-3-yl)methyl]-4-piperidyl]oxy]benzoyl]-4-piperidyl]-4h-3,1-benzoxazin-2-one
Molecular Mass 592.726 g·mol−1
Heat of Formation -616.8 ± 16.7 kJ·mol−1
Dipole Moment 6.40 ± 1.08 D
Volume 689.6 Å 3
Surface Area 551.87 Å 2
HOMO Energy -8.83 ± 0.55 eV
LUMO Energy 3.52 ± eV
Point Group Symmetry C1
InChIKey ILXLSURQYZSELD-UHFFFAOYSA-N
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