3-Benzyldodecahydro-1H-Pyrrolo[1,2-A][1,4,7]Triazacyclotridecine-1,4,11-Trione

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Formula C20H27N3O3
IUPAC Name (10s,13r)-10-benzyl-1,8,11-triazabicyclo[11.3.0]hexadecane-2,9,12-trione
Molecular Mass 357.447 g·mol−1
Heat of Formation -548.7 ± 16.7 kJ·mol−1
Dipole Moment 3.91 ± 1.08 D
Volume 444.57 Å 3
Surface Area 358.92 Å 2
HOMO Energy -9.27 ± 0.55 eV
LUMO Energy 0.02 ± eV
Point Group Symmetry C1
InChIKey XLYAAACVHBCJDF-DLBZAZTESA-N
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