4-[(3S)-1-Azabicyclo[2.2.2]Oct-3-Ylamino]-3-(1H-Benzimidazol-2-Yl)-6-Chloroquinolin-2-Ol

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Properties Simple | Detailed

Formula C23H22ClN5O+
IUPAC Name 3-(benzimidazol-1-ium-2-yl)-6-chloro-4-[[(3s)-quinuclidin-3-yl]amino]quinolin-1-ium-3-id-2-one
Molecular Mass 419.907 g·mol−1
Heat of Formation 110.6 ± 16.7 kJ·mol−1
Dipole Moment 3.93 ± 1.08 D
Volume 475.11 Å 3
Surface Area 390.77 Å 2
HOMO Energy -8.31 ± 0.55 eV
LUMO Energy 1.71 ± eV
Point Group Symmetry C1
InChIKey MOVBBVMDHIRCTG-LJQANCHMSA-N
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Elements H C N O Cl