2-Butyl-11-{(E)-[(5E)-3-Methoxy-5-(2H-Pyrrol-2-Ylidene)-1,5-Dihydro-2H-Pyrrol-2-Ylidene]Methyl}-10-Azabicyclo[7.2.1]Dodeca-1(11),9(12)-Diene

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Properties Simple | Detailed

Formula C25H33N3O
IUPAC Name 8-butyl-10-[(e)-[(5e)-3-methoxy-5-pyrrol-2-ylidenepyrrol-2-ylidene]methyl]-11-azabicyclo[7.2.1]dodeca-1(12),9-diene
Molecular Mass 391.549 g·mol−1
Heat of Formation 186.3 ± 16.7 kJ·mol−1
Dipole Moment 5.69 ± 1.08 D
Volume 511.76 Å 3
Surface Area 408.42 Å 2
HOMO Energy -8.04 ± 0.55 eV
LUMO Energy -1.40 ± eV
Point Group Symmetry C1
InChIKey JFJGSGABCGVJGJ-VSJMHFFUSA-N
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