1-(2-{3-[(2S)-3-(2,4-Dichlorophenoxy)-2-Hydroxypropyl]-2-Imino-2,3-Dihydro-1H-Benzimidazol-1-Yl}Ethyl)Piperidinium

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Properties Simple | Detailed

Formula C23H28Cl2N4O2
IUPAC Name (2r)-1-(2,4-dichlorophenoxy)-3-[2-imino-3-[2-(1-piperidyl)ethyl]benzimidazole-1,3-diium-1-yl]propan-2-ol
Molecular Mass 463.400 g·mol−1
Heat of Formation -135.9 ± 16.7 kJ·mol−1
Dipole Moment 2.16 ± 1.08 D
Volume 539.04 Å 3
Surface Area 447.18 Å 2
HOMO Energy -8.16 ± 0.55 eV
LUMO Energy 2.23 ± eV
Point Group Symmetry C1
InChIKey QMRFKZWWZBZQKJ-MVXIZWJUSA-N
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Elements H C N O Cl