N-(3-Acetylbenzyl)-N,N-Dimethyl-1,2-Ethanediaminium

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Properties Simple | Detailed

Formula C13H22N2O++
IUPAC Name ammonia; 1-[3-[(dimethylamino)methyl]phenyl]ethanone; ethylene
Molecular Mass 222.327 g·mol−1
Heat of Formation -87.6 ± 16.7 kJ·mol−1
Dipole Moment 6.06 ± 1.08 D
Volume 329.82 Å 3
Surface Area 286.55 Å 2
HOMO Energy -9.17 ± 0.55 eV
LUMO Energy -0.30 ± eV
Point Group Symmetry C1
InChIKey PSJQJBFKKQXTBL-UHFFFAOYSA-O
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