1-((2,6-Dichloropyridin-4-Yl)Methyl)-1,4,8,11-Tetrazacyclotetradecane

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Properties Simple | Detailed

Formula C16H27Cl2N5
IUPAC Name (1s)-1-[(2,6-dichloro-4-pyridyl)methyl]-1,4,8,11-tetrazacyclotetradecane
Molecular Mass 360.325 g·mol−1
Heat of Formation 42.9 ± 16.7 kJ·mol−1
Dipole Moment 6.24 ± 1.08 D
Volume 429.84 Å 3
Surface Area 316.23 Å 2
HOMO Energy -8.38 ± 0.55 eV
LUMO Energy 2.43 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[(2,6-dichloro-4-pyridinyl)methyl]-1,4,8,11-tetraazacyclotetradecane
  • 1-[(2,6-dichloro-4-pyridyl)methyl]-1,4,8,11-tetrazacyclotetradecane
  • 1-[(2,6-dichloropyridin-4-yl)methyl]-1,4,8,11-tetrazacyclotetradecane
  • amd3451
InChIKey BOLSWSQFGOVHCQ-UHFFFAOYSA-N
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Elements H C N Cl