Ethyl (4R)-1-Methyl-4-Phenyl-4-Azepanecarboxylate

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Properties Simple | Detailed

Formula C16H23NO2
IUPAC Name ethyl (1r,4r)-1-methyl-4-phenyl-azepane-4-carboxylate
Molecular Mass 261.359 g·mol−1
Heat of Formation -319.3 ± 16.7 kJ·mol−1
Dipole Moment 2.47 ± 1.08 D
Volume 339.18 Å 3
Surface Area 290.46 Å 2
HOMO Energy -8.79 ± 0.55 eV
LUMO Energy 0.17 ± eV
Point Group Symmetry C1
InChIKey WGJHHMKQBWSQIY-MRXNPFEDSA-N
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