2-{[4-(Diethylamino)-1-Piperidinyl]Methyl}-4-(3-Hydroxy-1-Propyn-1-Yl)-6-Iodophenol

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Properties Simple | Detailed

Formula C19H27IN2O2
IUPAC Name 2-[[4-(diethylamino)-1-piperidyl]methyl]-4-(3-hydroxyprop-1-ynyl)-6-iodo-phenol
Molecular Mass 442.334 g·mol−1
Heat of Formation 2.8 ± 16.7 kJ·mol−1
Dipole Moment 3.03 ± 1.08 D
Volume 456.68 Å 3
Surface Area 400.81 Å 2
HOMO Energy -8.50 ± 0.55 eV
LUMO Energy 2.61 ± eV
Point Group Symmetry C1
InChIKey IDHNPNUDNMDQEU-UHFFFAOYSA-N
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