Homaline

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Properties Simple | Detailed

Formula C29H14N4O2
IUPAC Name 3-[4-[4-ethynylhexa-2,5-diynoyl(3-methylidyneammonioprop-1-ynyl)amino]buta-1,3-diynyl-(3-phenylprop-2-ynoyl)amino]prop-2-ynyl-methylidyne-ammonium
Molecular Mass 450.447 g·mol−1
Heat of Formation -200.5 ± 16.7 kJ·mol−1
Dipole Moment 5.84 ± 1.08 D
Volume 627.84 Å 3
Surface Area 509.1 Å 2
HOMO Energy -8.95 ± 0.55 eV
LUMO Energy 3.14 ± eV
Point Group Symmetry C2
Synonyms
  • (4s)-1-[4-[(4s)-2-keto-5-methyl-4-phenyl-1,5-diazocan-1-yl]butyl]-5-methyl-4-phenyl-1,5-diazocan-2-one
  • (4s)-5-methyl-1-[4-[(4s)-5-methyl-2-oxo-4-phenyl-1,5-diazocan-1-yl]butyl]-4-phenyl-1,5-diazocan-2-one
CAS Number(s)
  • 20410-93-9
InChIKey LNCIXDIFZNXBDP-NSOVKSMOSA-N
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