(2R)-2-Isobutyl-13-[(Z)-[(5Z)-3-Methoxy-5-Pyrrol-2-Ylidene-Pyrrol-2-Ylidene]Methyl]-12-Azabicyclo[9.2.1]Tetradeca-1(13),11(14)-Diene

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Properties Simple | Detailed

Formula C27H37N3O
IUPAC Name (2r)-2-isobutyl-13-[(z)-[(5z)-3-methoxy-5-pyrrol-2-ylidene-pyrrol-2-ylidene]methyl]-12-azabicyclo[9.2.1]tetradeca-1(13),11(14)-diene
Molecular Mass 419.602 g·mol−1
Heat of Formation 81.5 ± 16.7 kJ·mol−1
Dipole Moment 6.39 ± 1.08 D
Volume 552.86 Å 3
Surface Area 432.98 Å 2
HOMO Energy -7.89 ± 0.55 eV
LUMO Energy -1.47 ± eV
Point Group Symmetry C1
InChIKey FZOGNJSRIPZZCX-PNMVQUNNSA-N
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