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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Elements |
H
C
O
N
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