4-(6-Oxo-1,4,5,6-Tetrahydro-3-Pyridazinyl)Benzyl 2,6-Dimethyl-5-Nitro-4-(3-Nitrophenyl)-1,4-Dihydro-3-Pyridinecarboxylate

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Properties Simple | Detailed

Formula C25H23N5O7
IUPAC Name [4-(6-oxo-4,5-dihydro-1h-pyridazin-3-yl)phenyl]methyl (4r)-2,6-dimethyl-5-nitro-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate
Molecular Mass 505.479 g·mol−1
Heat of Formation -250.1 ± 16.7 kJ·mol−1
Dipole Moment 10.66 ± 1.08 D
Volume 569.04 Å 3
Surface Area 463.87 Å 2
HOMO Energy -9.38 ± 0.55 eV
LUMO Energy 1.72 ± eV
Point Group Symmetry C1
InChIKey AJYGWAOLKKWVEB-QHCPKHFHSA-N
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