(3S,6S)-6-(3-Aminopropyl)-3-Isopropyl-13-(7-Methylnonyl)-1,4,7,10-Tetraazacyclotridecane-2,5,8,11-Tetrone

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Formula C25H47N5O4
IUPAC Name (3s,6s,13s)-6-(3-aminopropyl)-3-isopropyl-13-[(7r)-7-methylnonyl]-1,4,7,10-tetrazacyclotridecane-2,5,8,11-tetrone
Molecular Mass 481.672 g·mol−1
Heat of Formation -1024.9 ± 16.7 kJ·mol−1
Dipole Moment 12.61 ± 1.08 D
Volume 653.54 Å 3
Surface Area 529.68 Å 2
HOMO Energy -9.66 ± 0.55 eV
LUMO Energy 0.63 ± eV
Point Group Symmetry C1
InChIKey BCORRXOGBNOQQU-NVJIOZQYSA-N
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