1-Azido-4-Isothiocyanato-Benzene

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Properties Simple | Detailed

Formula C7H5N4S
IUPAC Name 1-azido-4-isothiocyanato-benzene
Molecular Mass 177.206 g·mol−1
Heat of Formation 577.3 ± 16.7 kJ·mol−1
Dipole Moment 1.52 ± 1.08 D
Volume 201.39 Å 3
Surface Area 204.34 Å 2
HOMO Energy -8.75 ± 0.55 eV
LUMO Energy -1.65 ± eV
Point Group Symmetry Cs
InChIKey AZZNUXJIKIGJGA-UHFFFAOYSA-N
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Elements H S C N