(1-Methyl-4-Piperidinyl)Methyl 8-Amino-7-Chloro-2,3-Dihydro-1,4-Benzodioxine-5-Carboxylate

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Properties Simple | Detailed

Formula C16H21ClN2O4
IUPAC Name (1-methyl-4-piperidyl)methyl 5-amino-6-chloro-2,3-dihydro-1,4-benzodioxine-8-carboxylate
Molecular Mass 340.802 g·mol−1
Heat of Formation -626.4 ± 16.7 kJ·mol−1
Dipole Moment 4.74 ± 1.08 D
Volume 384.51 Å 3
Surface Area 348.06 Å 2
HOMO Energy -8.67 ± 0.55 eV
LUMO Energy 2.58 ± eV
Point Group Symmetry C1
InChIKey FWDOTRBSNDBFMN-UHFFFAOYSA-N
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Elements H C N O Cl