17-(4-Hydroxybenzyl)-18,23-Dioxo-1,6,10,22-Tetraazatricyclo[9.7.6.1~12,16~]Pentacosa-12(25),13,15-Trien-15-Yl Acetate

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Formula C30H40N4O5
IUPAC Name (11r,17s)-17-(4-hydroxybenzyl)-18,23-dioxo-1,6,10,22-tetraazatricyclo[9.7.6.1 12,16 ]pentacosa-12(25),13,15-trien-15-yl acetate
Molecular Mass 536.662 g·mol−1
Heat of Formation -492.0 ± 16.7 kJ·mol−1
Dipole Moment 10.32 ± 1.08 D
Volume 630.08 Å 3
Surface Area 431.74 Å 2
HOMO Energy -8.55 ± 0.55 eV
LUMO Energy 2.89 ± eV
Point Group Symmetry C1
InChIKey LSZMIIMBHCIRKT-SXOMAYOGSA-N
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