1-[5-Tert-Butyl-2-(P-Tolyl)Pyrazol-2-Ium-3-Ylium-3-Yl]-3-[3-[(6-Nitroquinolin-1-Ium-4A-Id-4-Yl)Amino]Phenyl]Urea

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Properties Simple | Detailed

Formula C30H30N7O3
IUPAC Name 1-[5-tert-butyl-2-(p-tolyl)pyrazol-2-ium-3-ylium-3-yl]-3-[3-[(6-nitroquinolin-1-ium-4a-id-4-yl)amino]phenyl]urea
Molecular Mass 536.604 g·mol−1
Heat of Formation 321.7 ± 16.7 kJ·mol−1
Dipole Moment 10.44 ± 1.08 D
Volume 634.83 Å 3
Surface Area 542.24 Å 2
HOMO Energy -8.79 ± 0.55 eV
LUMO Energy 2.52 ± eV
Point Group Symmetry C1
InChIKey KXEKNWHSRWXHJI-UHFFFAOYSA-N
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