(1S,5R,7S)-3-Amino-2,4,6-Triazabicyclo[3.2.1]Oct-3-Ene-7-Carboxylic Acid

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Formula C6H10N4O2
IUPAC Name (1s,5r,7s)-3-amino-2,4,6-triazabicyclo[3.2.1]oct-3-ene-7-carboxylic acid
Molecular Mass 170.169 g·mol−1
Heat of Formation -236.8 ± 16.7 kJ·mol−1
Dipole Moment 4.61 ± 1.08 D
Volume 188.72 Å 3
Surface Area 183.05 Å 2
HOMO Energy -9.20 ± 0.55 eV
LUMO Energy 0.59 ± eV
Point Group Symmetry C1
Synonyms
  • 2,4,6-triaza-3-iminobicyclo(3.2.1)octane-7-carboxylic acid
  • 2,4,6-triazabicyclo(3.2.1)oct-2-ene-7-carboxylic acid, 3-amino-, (1r-endo)-
  • viomycidine
CAS Number(s)
  • 24250-74-6
InChIKey YQNZBBCYFJAWJK-NUNKFHFFSA-N
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