2-({[2-(4-Hydroxy-2-Iodophenyl)Ethyl]Amino}Methyl)-3,4-Dihydro-1(2H)-Naphthalenone

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Properties Simple | Detailed

Formula C19H20INO2
IUPAC Name (2s)-2-[[2-(4-hydroxy-2-iodo-phenyl)ethylamino]methyl]tetralin-1-one
Molecular Mass 421.272 g·mol−1
Heat of Formation -124.7 ± 16.7 kJ·mol−1
Dipole Moment 1.84 ± 1.08 D
Volume 407.73 Å 3
Surface Area 361.61 Å 2
HOMO Energy -8.85 ± 0.55 eV
LUMO Energy -0.49 ± eV
Point Group Symmetry C1
InChIKey MIQRUWUVLIWVAW-HNNXBMFYSA-N
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