5-{(Z)-[(5Z)-3-Methoxy-5-(2H-Pyrrol-2-Ylidene)-1,5-Dihydro-2H-Pyrrol-2-Ylidene]Methyl}-2-Methyl-3-Pentyl-1H-Pyrrole

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Properties Simple | Detailed

Formula C20H25N3O
IUPAC Name (2z,5z)-3-methoxy-2-[(5-methyl-4-pentyl-pyrrol-1-ium-5-ylium-2-yl)methylene]-5-pyrrol-2-ylidene-pyrrole
Molecular Mass 323.432 g·mol−1
Heat of Formation 190.4 ± 16.7 kJ·mol−1
Dipole Moment 6.95 ± 1.08 D
Volume 422.55 Å 3
Surface Area 391.16 Å 2
HOMO Energy -7.77 ± 0.55 eV
LUMO Energy -1.48 ± eV
Point Group Symmetry C1
Synonyms
  • 3-amyl-5-[(z)-[(5z)-3-methoxy-5-pyrrol-2-ylidene-3-pyrrolin-2-ylidene]methyl]-2-methyl-1h-pyrrole
  • 5-[(z)-[(5z)-3-methoxy-5-(2-pyrrolylidene)-2-pyrrolylidene]methyl]-2-methyl-3-pentyl-1h-pyrrole
  • 5-[(z)-[(5z)-3-methoxy-5-pyrrol-2-ylidene-pyrrol-2-ylidene]methyl]-2-methyl-3-pentyl-1h-pyrrole
  • 5-[(z)-[(5z)-3-methoxy-5-pyrrol-2-ylidenepyrrol-2-ylidene]methyl]-2-methyl-3-pentyl-1h-pyrrole
InChIKey WKGQSEFBQTWRPT-UUPRNIFOSA-N
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