4-(4-Fluoro-Phenylazo)-5-Imino-5H-Pyrazol-3-Ylamine

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Properties Simple | Detailed

Formula C9H7FN6
IUPAC Name 4-[(e)-(4-fluorophenyl)azo]-5-imino-pyrazol-3-amine
Molecular Mass 218.190 g·mol−1
Heat of Formation 490.5 ± 16.7 kJ·mol−1
Dipole Moment 3.99 ± 1.08 D
Volume 239.92 Å 3
Surface Area 235.78 Å 2
HOMO Energy -8.96 ± 0.55 eV
LUMO Energy -0.12 ± eV
Point Group Symmetry Cs
InChIKey HALOLQDLOLYIOW-KBABRGLLSA-N
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Elements H C N F