Methyl (10R,11S,12E)-12-Ethylidene-17-Oxo-8,14-Diazapentacyclo[9.5.3.0~1,10~.0~2,7~.0~14,18~]Nonadeca-2,4,6,8-Tetraene-10-Carboxylate

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Formula C21H22N2O3
IUPAC Name methyl (10r,11s,12e)-12-ethylidene-17-oxo-8,14-diazapentacyclo[9.5.3.0 1,10 .0 2,7 .0 14,18 ]nonadeca-2,4,6,8-tetraene-10-carboxylate
Molecular Mass 350.411 g·mol−1
Heat of Formation -225.0 ± 16.7 kJ·mol−1
Dipole Moment 4.50 ± 1.08 D
Volume 400.84 Å 3
Surface Area 310.61 Å 2
HOMO Energy -8.93 ± 0.55 eV
LUMO Energy -0.47 ± eV
Point Group Symmetry C1
InChIKey NOEROADCEPGVQJ-OQTQPSEISA-N
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