3,6,9,15-Tetraazabicyclo(9.3.1)Pentadeca-1(15),11,13-Triene-3,6,9-Triacetic Acid

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Formula C17H24N4O6
IUPAC Name 2-[(3s,9s)-3,9-bis(carboxymethyl)-3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(15),11,13-trien-6-yl]acetic acid
Molecular Mass 380.396 g·mol−1
Heat of Formation -909.2 ± 16.7 kJ·mol−1
Dipole Moment 5.59 ± 1.08 D
Volume 446.94 Å 3
Surface Area 344.16 Å 2
HOMO Energy -8.61 ± 0.55 eV
LUMO Energy -0.61 ± eV
Point Group Symmetry C1
InChIKey FDSYTWVNUJTPMA-UHFFFAOYSA-N
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