[4-(6-Oxo-4,5-Dihydro-1H-Pyridazin-3-Yl)Phenyl]Methyl (4S)-2,6-Dimethyl-5-Nitro-4-(3-Nitrophenyl)-1,4-Dihydropyridine-3-Carboxylate

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Properties Simple | Detailed

Formula C25H23N5O7
IUPAC Name [4-(6-oxo-4,5-dihydro-1h-pyridazin-3-yl)phenyl]methyl (4s)-2,6-dimethyl-5-nitro-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate
Molecular Mass 505.479 g·mol−1
Heat of Formation -283.5 ± 16.7 kJ·mol−1
Dipole Moment 10.21 ± 1.08 D
Volume 569.02 Å 3
Surface Area 422.19 Å 2
HOMO Energy -9.09 ± 0.55 eV
LUMO Energy -1.35 ± eV
Point Group Symmetry C1
InChIKey MBCRBQVGGHYGKZ-QHCPKHFHSA-N
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