(3R)-3-[4-(~125~I)Iodo-2-Methylphenoxy]-N-Methyl-3-Phenyl-1-Propanamine

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Properties Simple | Detailed

Formula C17H20INO
IUPAC Name (3r)-3-(4-iodo-2-methyl-phenoxy)-n-methyl-3-phenyl-propan-1-amine
Molecular Mass 379.251 g·mol−1
Heat of Formation 48.9 ± 16.7 kJ·mol−1
Dipole Moment 3.03 ± 1.08 D
Volume 378.98 Å 3
Surface Area 339.5 Å 2
HOMO Energy -8.64 ± 0.55 eV
LUMO Energy -0.20 ± eV
Point Group Symmetry C1
Synonyms
  • (125i)r-4-iodotomoxetine
  • 4-i-tmt
  • 4-iodotomoxetine
  • benzenepropanamine, gamma-(4-(iodo-125i)-2-methylphenoxy)-n-methyl-, (r)-
  • r-4-i-tmt
CAS Number(s)
  • 142997-58-8
InChIKey QECBYSWGSWJZPS-BLGMQBIPSA-N
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