Methyl (13E)-13-Ethylidene-17-Hydroxy-16-Oxa-8,15-Diazahexacyclo[10.6.1.0~1,9~.0~2,7~.0~10,15~.0~14,18~]Nonadeca-2,4,6,8-Tetraene-19-Carboxylate

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Formula C20H21N2O4+
IUPAC Name methyl (13e)-13-ethylidene-17-hydroxy-16-oxa-8,15-diazahexacyclo[10.6.1.0 1,9 .0 2,7 .0 10,15 .0 14,18 ]nonadeca-2,4,6,8-tetraene-19-carboxylate
Molecular Mass 353.392 g·mol−1
Heat of Formation -285.4 ± 16.7 kJ·mol−1
Dipole Moment 5.95 ± 1.08 D
Volume 394.67 Å 3
Surface Area 316.77 Å 2
HOMO Energy -9.41 ± 0.55 eV
LUMO Energy -0.60 ± eV
Point Group Symmetry C1
InChIKey RTKCXWGAPBPXSB-QEFOBXTASA-N
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