(1R,8R,9S,13S)-11-[2-(2-Methoxyphenyl)Acryloyl]-1-(4-Methylphenyl)-11-Azatetracyclo[6.5.2.0~2,7~.0~9,13~]Pentadeca-2,4,6-Triene-9-Carboxylic Acid

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Formula C32H31NO4
IUPAC Name (1r,8r,9s,13s)-11-[2-(2-methoxyphenyl)acryloyl]-1-(4-methylphenyl)-11-azatetracyclo[6.5.2.0 2,7 .0 9,13 ]pentadeca-2,4,6-triene-9-carboxylic acid
Molecular Mass 493.593 g·mol−1
Heat of Formation -411.6 ± 16.7 kJ·mol−1
Dipole Moment 3.86 ± 1.08 D
Volume 596.44 Å 3
Surface Area 448.24 Å 2
HOMO Energy -9.07 ± 0.55 eV
LUMO Energy 2.85 ± eV
Point Group Symmetry C1
InChIKey OMXJXAHPPQYWRS-OGCSMFTJSA-N
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