4-[7-Acetyl-8-({4-[(Dimethylamino)Methyl]Cyclohexyl}Amino)-1,5-Naphthyridin-2(1H)-Ylidene]-2,6-Dichloro-2,5-Cyclohexadien-1-One

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Properties Simple | Detailed

Formula C25H28Cl2N4O2
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 487.421 g·mol−1
Heat of Formation 2987.1 ± 16.7 kJ·mol−1
Dipole Moment 1.08 ± 1.08 D
Volume 460.8 Å 3
Surface Area 385.17 Å 2
HOMO Energy -9.30 ± 0.55 eV
LUMO Energy -3.36 ± eV
Point Group Symmetry C1
InChIKey WZJUACDPTWDYSI-WOVMCDHWSA-N
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