2-Ethyl-13-{(Z)-[(5Z)-3-Methoxy-5-(2H-Pyrrol-2-Ylidene)-1,5-Dihydro-2H-Pyrrol-2-Ylidene]Methyl}-12-Azabicyclo[9.2.1]Tetradeca-1(13),11(14)-Diene

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Properties Simple | Detailed

Formula C25H33N3O
IUPAC Name (10r)-10-ethyl-12-[(z)-[(5z)-3-methoxy-5-pyrrol-2-ylidenepyrrol-2-ylidene]methyl]-13-azabicyclo[9.2.1]tetradeca-1(14),11-diene
Molecular Mass 391.549 g·mol−1
Heat of Formation 127.5 ± 16.7 kJ·mol−1
Dipole Moment 4.55 ± 1.08 D
Volume 508.78 Å 3
Surface Area 421.96 Å 2
HOMO Energy -7.73 ± 0.55 eV
LUMO Energy -1.42 ± eV
Point Group Symmetry C1
InChIKey LHGDELSTHOOWNP-YMTDNPRJSA-N
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