2-[5-Amino-5-Methyl-4,16-Dioxo-14-Phenyl-3-Oxa-15-Azatricyclo[15.3.1.1~7,11~]Docosa-1(21),7(22),8,10,12,14,17,19-Octaen-19-Yl]Benzonitrile

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Formula C34H27N3O3
IUPAC Name 2-[5-amino-5-methyl-4,16-dioxo-14-phenyl-3-oxa-15-azatricyclo[15.3.1.1 7,11 ]docosa-1(21),7(22),8,10,12,14,17,19-octaen-19-yl]benzonitrile
Molecular Mass 525.596 g·mol−1
Heat of Formation 76.4 ± 16.7 kJ·mol−1
Dipole Moment 4.44 ± 1.08 D
Volume 644.6 Å 3
Surface Area 448.26 Å 2
HOMO Energy -9.48 ± 0.55 eV
LUMO Energy 2.09 ± eV
Point Group Symmetry C1
InChIKey GWSQLGYWQZHSHS-UUWRZZSWSA-N
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