1-Isothiocyanatopyrene

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Properties Simple | Detailed

Formula C17H9NS
IUPAC Name 1-isothiocyanatopyrene
Molecular Mass 259.325 g·mol−1
Heat of Formation 423.7 ± 16.7 kJ·mol−1
Dipole Moment 4.45 ± 1.08 D
Volume 295.34 Å 3
Surface Area 271.28 Å 2
HOMO Energy -8.31 ± 0.55 eV
LUMO Energy 0.30 ± eV
Point Group Symmetry Cs
Synonyms
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InChIKey LHEHDIOVQOOWSX-UHFFFAOYSA-N
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Elements H S C N