(3Z,4S)-N-{[3-(3-Methoxyphenyl)-2-Propyn-1-Yl]Oxy}-1-Azabicyclo[2.2.1]Heptan-3-Imine

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Formula C16H18N2O2
IUPAC Name (z,1r,4s)-n-[3-(3-methoxyphenyl)prop-2-ynoxy]-1-azabicyclo[2.2.1]heptan-3-imine
Molecular Mass 270.326 g·mol−1
Heat of Formation 252.6 ± 16.7 kJ·mol−1
Dipole Moment 1.30 ± 1.08 D
Volume 331.25 Å 3
Surface Area 321.93 Å 2
HOMO Energy -9.00 ± 0.55 eV
LUMO Energy -0.31 ± eV
Point Group Symmetry C1
Synonyms
  • (4s)-n-[3-(3-methoxyphenyl)prop-2-ynoxy]-1-azabicyclo[2.2.1]heptan-3-imine
  • (z)-[(4s)-1-azabicyclo[2.2.1]heptan-3-ylidene]-[3-(3-methoxyphenyl)prop-2-ynoxy]amine
InChIKey FXBXWJPMXQHOGD-VUAZUDAXSA-N
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