4-Isothiocyanato-N-(4-Nitrophenyl)Aniline

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Formula C13H9N3O2S
IUPAC Name 4-isothiocyanato-n-(4-nitrophenyl)aniline
Molecular Mass 271.295 g·mol−1
Heat of Formation 344.3 ± 16.7 kJ·mol−1
Dipole Moment 5.74 ± 1.08 D
Volume 305.24 Å 3
Surface Area 290.68 Å 2
HOMO Energy -8.84 ± 0.55 eV
LUMO Energy 1.39 ± eV
Point Group Symmetry C1
InChIKey QVDIGDCEBAAWNB-UHFFFAOYSA-N
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