(16Z)-25-(9H-β-Carbolin-1-Yl)-13-Hydroxy-7-Oxo-11,22-Diazoniapentacyclo[11.11.2.1~2,22~.0~2,12~.0~4,11~]Heptacosa-16,25-Diene

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Properties Simple | Detailed

Formula C36H29N4O2
IUPAC Name (2z)-4-(ethylamino)-3-(2-hydroxyethynyl)-5-(6-methylenecyclohexa-2,4-dien-1-ylidene)-2-prop-1-ynyl-penta-2,4-dienenitrile; 2-[7-(2-methylenecyclopropyl)hepta-1,3,6-triynylamino]ethynyl-methylidyne-ammonium; prop-1-yn-1-ol
Molecular Mass 549.641 g·mol−1
Heat of Formation 5700.2 ± 16.7 kJ·mol−1
Dipole Moment 3.06 ± 1.08 D
Volume 563.9 Å 3
Surface Area 474.78 Å 2
HOMO Energy -8.40 ± 0.55 eV
LUMO Energy -2.19 ± eV
Point Group Symmetry C1
InChIKey LTHULOBARTYAMF-IWQZZHSRSA-P
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