3,12-Bis(3-Chloro-2-Hydroxypropyl)-3,12-Diaza-6,9-Diazoniadispiro[5.2.5.2]Hexadecane

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Properties Simple | Detailed

Formula C18H36Cl2N4O2++
IUPAC Name (2s)-1-chloro-3-[4-[2-[4-[(2s)-3-chloro-2-hydroxy-propyl]piperazin-1-yl]ethyl]piperazin-1-yl]propan-2-ol; ethylene
Molecular Mass 411.410 g·mol−1
Heat of Formation 4066.1 ± 16.7 kJ·mol−1
Dipole Moment 2.70 ± 1.08 D
Volume 417.8 Å 3
Surface Area 388.01 Å 2
HOMO Energy -9.92 ± 0.55 eV
LUMO Energy -4.41 ± eV
Point Group Symmetry C1
InChIKey UVYDWIMQPVNRJN-ROUUACIJSA-N
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Elements C N O Cl