Methyl (1R,9R,13E,15R)-13-Ethylidene-11-Formyl-18-Oxa-8,11-Diazapentacyclo[7.6.3.1~10,14~.0~1,9~.0~2,7~]Nonadeca-2,4,6-Triene-15-Carboxylate

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Formula C21H24N2O4
IUPAC Name methyl (1r,10s,13e,14r,15r)-13-ethylidene-11-formyl-18-oxa-8,11-diazapentacyclo[7.6.3.1 10,14 .0 1,9 .0 2,7 ]nonadeca-2,4,6-triene-15-carboxylate
Molecular Mass 368.426 g·mol−1
Heat of Formation -345.7 ± 16.7 kJ·mol−1
Dipole Moment 2.55 ± 1.08 D
Volume 428.19 Å 3
Surface Area 336.72 Å 2
HOMO Energy -8.76 ± 0.55 eV
LUMO Energy 2.97 ± eV
Point Group Symmetry C1
InChIKey NKMFTVSMLXLPDB-PHTYPUGGSA-N
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