(1R,2R,4R,5Z,12R,13S,16Z)-25-(8-Methoxy-9H-β-Carbolin-1-Yl)-11,22-Diazapentacyclo[11.11.2.1~2,22~.0~2,12~.0~4,11~]Heptacosa-5,16,25-Trien-13-Ol

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Formula C30H34N4O2+
IUPAC Name (1r,2r,4r,5z,12r,13s,16z)-25-(8-methoxy-9h-β-carbolin-1-yl)-11,22-diazapentacyclo[11.11.2.1 2,22 .0 2,12 .0 4,11 ]heptacosa-5,16,25-trien-13-ol
Molecular Mass 482.617 g·mol−1
Heat of Formation 73.8 ± 16.7 kJ·mol−1
Dipole Moment 5.61 ± 1.08 D
Volume 702.49 Å 3
Surface Area 506.62 Å 2
HOMO Energy -7.96 ± 0.55 eV
LUMO Energy -0.66 ± eV
Point Group Symmetry C1
InChIKey NXSCWSXZIHLCCS-BIPBBPDOSA-N
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