6-{[{2-[(Cyclohexylmethyl)Carbamoyl]Benzyl}(Methyl)Amino]Methyl}-2,3-Dihydro-1,4-Benzodioxine-5-Carboxylic Acid

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Formula C26H32N2O5
IUPAC Name 6-[[[2-(cyclohexylmethylcarbamoyl)phenyl]methyl-methyl-amino]methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid
Molecular Mass 452.543 g·mol−1
Heat of Formation -768.5 ± 16.7 kJ·mol−1
Dipole Moment 3.61 ± 1.08 D
Volume 546.18 Å 3
Surface Area 435.94 Å 2
HOMO Energy -8.86 ± 0.55 eV
LUMO Energy 2.75 ± eV
Point Group Symmetry C1
InChIKey XSHGFHPQUOIBPT-UHFFFAOYSA-N
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