Pf-4840154

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Properties Simple | Detailed

Formula C26H38N6O2
IUPAC Name 2-cyano-n-(5-cyano-2,4-dimethylene-hept-6-ynyl)-n'-[[2-[ethynyl(penta-1,3-diynyl)amino]ethynylamino]methyl]-3-oxo-prop-2-enamidine; formaldehyde
Molecular Mass 466.619 g·mol−1
Heat of Formation -212.8 ± 16.7 kJ·mol−1
Dipole Moment 6.59 ± 1.08 D
Volume 591.41 Å 3
Surface Area 477.07 Å 2
HOMO Energy -8.62 ± 0.55 eV
LUMO Energy 2.98 ± eV
Point Group Symmetry C1
InChIKey PPANZCQXFYBGHN-JOCHJYFZSA-N
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