[4-[4-[(E)-C-(4-Bromophenyl)-N-Ethoxy-Carbonimidoyl]-1-Piperidyl]-4-Methyl-1-Piperidyl]-(2,4-Dimethyl-1-Oxido-Piperidine-2,3,4,5,6-Pentaid-3-Yl)Methanone

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Properties Simple | Detailed

Formula C28H43BrN4O3+
IUPAC Name [4-[4-[(e)-c-(4-bromophenyl)-n-ethoxy-carbonimidoyl]-1-piperidyl]-4-methyl-1-piperidyl]-(2,4-dimethyl-1-oxido-piperidine-2,3,4,5,6-pentaid-3-yl)methanone
Molecular Mass 563.570 g·mol−1
Heat of Formation -122.3 ± 16.7 kJ·mol−1
Dipole Moment 5.70 ± 1.08 D
Volume 638.89 Å 3
Surface Area 505.92 Å 2
HOMO Energy -8.73 ± 0.55 eV
LUMO Energy 3.34 ± eV
Point Group Symmetry C1
InChIKey VZDWVWDDLMEDAK-BXVZCJGGSA-N
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Elements H C O Br N