2-[2-(3-Chloro-4-Methoxyphenyl)Ethyl]-5-(3,5-Dimethyl-1,2-Oxazol-4-Yl)-1-[(2S)-2-(4-Morpholinyl)Propyl]-1H-Benzimidazole

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Properties Simple | Detailed

Formula C28H33ClN4O3
IUPAC Name 4-[(1s)-2-[2-[2-(3-chloro-4-methoxy-phenyl)ethyl]-5-(3,5-dimethylisoxazol-4-yl)benzimidazol-1-ium-1-yl]-1-methyl-ethyl]morpholine
Molecular Mass 509.040 g·mol−1
Heat of Formation -114.5 ± 16.7 kJ·mol−1
Dipole Moment 6.22 ± 1.08 D
Volume 623.95 Å 3
Surface Area 496.82 Å 2
HOMO Energy -8.57 ± 0.55 eV
LUMO Energy 2.64 ± eV
Point Group Symmetry C1
InChIKey GEPYBHCJBORHCE-SFHVURJKSA-N
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Elements H C N O Cl