(3E,7Ar,12As)-6-Hydroxy-3-(1H-Imidazol-4-Ylmethylene)-12-Methoxy-7A-(2-Methyl-3-Buten-2-Yl)-7A,12-Dihydro-1H,5H-Imidazo[1',2':1,2]Pyrido[2,3-B]Indole-2,5(3H)-Dione

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Properties Simple | Detailed

Formula C23H26N5O4
IUPAC Name (4e)-4-(1,5-dihydroimidazol-3-ium-5-id-4-ylmethylene)-3-[(2e,4e)-2-hydroxy-4-[(6e)-6-methoxyiminocyclohexa-2,4-dien-1-ylidene]-5,5-dimethyl-hepta-2,6-dienoyl]-1h-imidazol-5-one
Molecular Mass 436.484 g·mol−1
Heat of Formation 130.3 ± 16.7 kJ·mol−1
Dipole Moment 4.53 ± 1.08 D
Volume 509.78 Å 3
Surface Area 404.79 Å 2
HOMO Energy -8.52 ± 0.55 eV
LUMO Energy -0.75 ± eV
Point Group Symmetry C1
InChIKey JTJJJLSLKZFEPJ-JZFIFQSBSA-N
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