4-[7-Acetyl-8-[[4-[(Dimethylamino)Methyl]Cyclohexyl]Amino]-1H-1,5-Naphthyridin-5-Ium-8A-Id-2-Ylidene]-2,6-Dichloro-Cyclohexa-2,5-Dien-1-One

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Properties Simple | Detailed

Formula C25H29Cl2N4O2
IUPAC Name 4-[7-acetyl-8-[[4-[(dimethylamino)methyl]cyclohexyl]amino]-1h-1,5-naphthyridin-5-ium-8a-id-2-ylidene]-2,6-dichloro-cyclohexa-2,5-dien-1-one
Molecular Mass 488.429 g·mol−1
Heat of Formation -90.7 ± 16.7 kJ·mol−1
Dipole Moment 8.87 ± 1.08 D
Volume 564.85 Å 3
Surface Area 441.06 Å 2
HOMO Energy -8.30 ± 0.55 eV
LUMO Energy -2.29 ± eV
Point Group Symmetry C1
InChIKey MJWVQHCWIJGCOK-PPKKWQKNSA-O
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Elements H C N O Cl