5-Chloro-7-Methyl-2-(4-Methyl-1,4-Diazepan-1-Yl)-1,3-Benzoxazole

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Properties Simple | Detailed

Formula C14H18ClN3O
IUPAC Name 5-chloro-7-methyl-2-[(1s,4s)-4-methyl-1,4-diazepan-1-yl]-1,3-benzoxazole
Molecular Mass 279.765 g·mol−1
Heat of Formation 2.3 ± 16.7 kJ·mol−1
Dipole Moment 7.54 ± 1.08 D
Volume 331.44 Å 3
Surface Area 285.97 Å 2
HOMO Energy -8.59 ± 0.55 eV
LUMO Energy 2.75 ± eV
Point Group Symmetry C1
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InChIKey HUKVXBOLNLWFQV-UHFFFAOYSA-N
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