N-[(2R)-2-Butanyl]-4-(2-Methyl-2-Propanyl)-2,6-Dinitroaniline

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Properties Simple | Detailed

Formula C14H21N3O4
IUPAC Name 4-tert-butyl-n-[(1r)-1-methylpropyl]-2,6-dinitro-aniline
Molecular Mass 295.334 g·mol−1
Heat of Formation -127.2 ± 16.7 kJ·mol−1
Dipole Moment 2.49 ± 1.08 D
Volume 359.99 Å 3
Surface Area 312.48 Å 2
HOMO Energy -9.16 ± 0.55 eV
LUMO Energy 1.49 ± eV
Point Group Symmetry C1
InChIKey SPNQRCTZKIBOAX-SECBINFHSA-N
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