4-[(3S)-1-Azabicyclo[2.2.2]Oct-3-Ylamino]-6-Chloro-3-(1,3-Dihydro-2H-Benzimidazol-2-Ylidene)-2(3H)-Quinolinone

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Properties Simple | Detailed

Formula C23H22ClN5O
IUPAC Name 3-(benzimidazole-1,3-diium-2-ylidene)-6-chloro-4-[[(3s)-quinuclidin-3-yl]amino]quinolin-2-one
Molecular Mass 419.907 g·mol−1
Heat of Formation 209.3 ± 16.7 kJ·mol−1
Dipole Moment 9.98 ± 1.08 D
Volume 467.74 Å 3
Surface Area 385.67 Å 2
HOMO Energy -8.22 ± 0.55 eV
LUMO Energy -1.52 ± eV
Point Group Symmetry C1
InChIKey VBIIUHUSFOLTIU-LJQANCHMSA-N
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Elements H C N O Cl