4,4'-{5-[(4-Hydroxyphenyl)Amino]-1H-Pyrazole-3,4-Diyl}Diphenol

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Properties Simple | Detailed

Formula C21H17N3O3
IUPAC Name 4-[3-(4-hydroxyanilino)-5-(4-hydroxyphenyl)pyrazol-1-ium-5-ylium-4-yl]phenol
Molecular Mass 359.378 g·mol−1
Heat of Formation -58.9 ± 16.7 kJ·mol−1
Dipole Moment 3.73 ± 1.08 D
Volume 414.59 Å 3
Surface Area 364.89 Å 2
HOMO Energy -7.89 ± 0.55 eV
LUMO Energy 2.51 ± eV
Point Group Symmetry C1
InChIKey VIJBEUTVNBPGIU-UHFFFAOYSA-N
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