(1R,4S,5R,7S)-1-[(6-Chloropyridin-1-Ium-3-Id-3-Yl)Methyl]-7-Methyl-8-Nitro-5-Propoxy-3,5,6,7-Tetrahydro-2H-Imidazo[1,2-A]Pyridine-8,8A-Diide

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Properties Simple | Detailed

Formula C17H26ClN4O3
IUPAC Name (1r,4s,5r,7s)-1-[(6-chloropyridin-1-ium-3-id-3-yl)methyl]-7-methyl-8-nitro-5-propoxy-3,5,6,7-tetrahydro-2h-imidazo[1,2-a]pyridine-8,8a-diide
Molecular Mass 369.866 g·mol−1
Heat of Formation -136.5 ± 16.7 kJ·mol−1
Dipole Moment 9.48 ± 1.08 D
Volume 425.08 Å 3
Surface Area 318.23 Å 2
HOMO Energy -8.96 ± 0.55 eV
LUMO Energy 2.19 ± eV
Point Group Symmetry C1
InChIKey ZBPSTMWNZNNBCG-SWLSCSKDSA-N
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Elements H C N O Cl