[(4S,5R)-4,5-Bis(4-Bromophenyl)-2-(2-Ethoxy-4-Methoxyphenyl)-4,5-Dihydro-1H-Imidazol-1-Yl][4-(2-Hydroxyethyl)-1-Piperazinyl]Methanone

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Properties Simple | Detailed

Formula C31H34Br2N4O4
IUPAC Name [5-(3-bromo-1-ethynyl-prop-2-ynyl)-4-(4-bromophenyl)-2-prop-1-ynyl-4h-imidazol-1-ium-3-yl]-[4-(2-hydroxyethynyl)pyrazine-1,4-diium-1-yl]methanone; formaldehyde
Molecular Mass 686.434 g·mol−1
Heat of Formation -294.0 ± 16.7 kJ·mol−1
Dipole Moment 4.27 ± 1.08 D
Volume 710.55 Å 3
Surface Area 517.42 Å 2
HOMO Energy -8.85 ± 0.55 eV
LUMO Energy 2.58 ± eV
Point Group Symmetry C1
InChIKey PVRYEWOXWGDQHA-WDYNHAJCSA-N
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Elements H C Br O N