(4As,7Ar,12Bs,13As,13Bs)-12B-{[(2S,5S)-5-Isopropyl-4-Methyl-3,6-Dioxo-2-Piperazinyl]Methyl}-4,4,13B-Trimethyl-1,2,3,4,4A,5,6,7A,12B,13,13A,13B-Dodecahydro-8H-Naphtho[2,1-B]Carbazole-8-Carbaldehyde

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Formula C33H45N3O3
IUPAC Name (4as,7ar,12bs,13as,13bs)-12b-{[(2s,5s)-5-isopropyl-4-methyl-3,6-dioxo-2-piperazinyl]methyl}-4,4,13b-trimethyl-1,2,3,4,4a,5,6,7a,12b,13,13a,13b-dodecahydro-8h-naphtho[2,1-b]carbazole-8-carbaldehyde
Molecular Mass 531.729 g·mol−1
Heat of Formation -563.4 ± 16.7 kJ·mol−1
Dipole Moment 2.50 ± 1.08 D
Volume 665.65 Å 3
Surface Area 502.71 Å 2
HOMO Energy -8.67 ± 0.55 eV
LUMO Energy 2.92 ± eV
Point Group Symmetry C1
InChIKey CLQRSQVWBQMYTC-OESDABHNSA-N
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