Methyl 6-[(5-Phenyl-1H-Pyrazol-3-Yl)Oxy]Hexyl 2,6-Dimethyl-4-(3-Nitrophenyl)-1,4-Dihydro-3,5-Pyridinedicarboxylate

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Formula C31H13N4O7
IUPAC Name 1-[6-[(5-hexa-1,3,5-triynyl-4h-pyrazol-3-yl)oxy]hexa-1,3,5-triynoxymethyl]-5-methoxy-3-methyl-8-nitro-4-(oxomethylene)indeno[2,3-c]pyridin-2-ium-9-one
Molecular Mass 553.458 g·mol−1
Heat of Formation 3956.0 ± 16.7 kJ·mol−1
Dipole Moment 73.50 ± 1.08 D
Volume 541.09 Å 3
Surface Area 458.96 Å 2
HOMO Energy -7.15 ± 0.55 eV
LUMO Energy -4.70 ± eV
Point Group Symmetry C1
InChIKey OOKHXFXYNBTHHR-LJAQVGFWSA-N
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