3-(Cis-4-{2-[4-(2,3-Dichlorophenyl)-1-Piperazinyl]Ethyl}Cyclohexyl)-1,1-Dimethylurea

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Properties Simple | Detailed

Formula C21H32Cl2N4O
IUPAC Name 3-[4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclohexyl]-1,1-dimethyl-urea
Molecular Mass 427.411 g·mol−1
Heat of Formation -218.2 ± 16.7 kJ·mol−1
Dipole Moment 4.47 ± 1.08 D
Volume 515.22 Å 3
Surface Area 443.77 Å 2
HOMO Energy -8.87 ± 0.55 eV
LUMO Energy -0.45 ± eV
Point Group Symmetry C1
InChIKey KPWSJANDNDDRMB-CALCHBBNSA-N
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Elements H C N O Cl