4-Phenylazophenylisothiocyanate

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Properties Simple | Detailed

Formula C13H9N3S
IUPAC Name (e)-(4-isothiocyanatophenyl)-phenyl-diazene
Molecular Mass 239.296 g·mol−1
Heat of Formation 558.8 ± 16.7 kJ·mol−1
Dipole Moment 3.97 ± 1.08 D
Volume 283.14 Å 3
Surface Area 278.16 Å 2
HOMO Energy -8.79 ± 0.55 eV
LUMO Energy -1.75 ± eV
Point Group Symmetry Cs
InChIKey ZTXNMMXJFVCQPD-FOCLMDBBSA-N
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Elements H S C N