(13R,16S)-12,12,16-Trimethyl-10,19,22-Triazahexacyclo[13.5.2.0~1,13~.0~3,11~.0~4,9~.0~15,19~]Docosa-3(11),4,6,8-Tetraen-21-One

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Formula C22H27N3O
IUPAC Name (13r,16s)-12,12,16-trimethyl-10,19,22-triazahexacyclo[13.5.2.0 1,13 .0 3,11 .0 4,9 .0 15,19 ]docosa-3(11),4,6,8-tetraen-21-one
Molecular Mass 349.469 g·mol−1
Heat of Formation -68.3 ± 16.7 kJ·mol−1
Dipole Moment 4.92 ± 1.08 D
Volume 424.73 Å 3
Surface Area 342.94 Å 2
HOMO Energy -8.14 ± 0.55 eV
LUMO Energy 0.17 ± eV
Point Group Symmetry C1
InChIKey IEJLMMJWGODTGM-YLBNWIERSA-N
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