6-[(4-Chlorophenyl)(Methoxy)(1-Methyl-1H-Imidazol-5-Yl)Methyl]-4-(2,6-Difluorophenyl)-1-Methyl-2(1H)-Quinolinone

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Properties Simple | Detailed

Formula C28H22ClF2N3O2+
IUPAC Name 6-[(r)-(4-chlorophenyl)-methoxy-(3-methyl-2h-imidazol-3-ium-2-ylium-4-yl)methyl]-4-(2,6-difluorophenyl)-1-methyl-3h-quinolin-1-ium-3-id-2-one
Molecular Mass 505.943 g·mol−1
Heat of Formation -297.3 ± 16.7 kJ·mol−1
Dipole Moment 2.48 ± 1.08 D
Volume 569.8 Å 3
Surface Area 429.93 Å 2
HOMO Energy -8.96 ± 0.55 eV
LUMO Energy 1.99 ± eV
Point Group Symmetry C1
InChIKey KVNUNQVIQXLHFU-MUUNZHRXSA-N
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