5-(4-Benzylpiperazin-1-Yl)-2-Methyl-4-Nitro-Aniline

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Properties Simple | Detailed

Formula C18H22N4O2
IUPAC Name 5-(4-benzylpiperazin-1-yl)-2-methyl-4-nitro-aniline
Molecular Mass 326.393 g·mol−1
Heat of Formation 187.4 ± 16.7 kJ·mol−1
Dipole Moment 7.06 ± 1.08 D
Volume 395.28 Å 3
Surface Area 345.37 Å 2
HOMO Energy -8.70 ± 0.55 eV
LUMO Energy 2.53 ± eV
Point Group Symmetry C1
InChIKey ZIIPJHBNUVSWCW-UHFFFAOYSA-N
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