1-(3-Methyl-2-Nitrophenoxy)-3-[(2-Methyl-2-Propanyl)Amino]-2-Propanol

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Properties Simple | Detailed

Formula C14H10N2O4
IUPAC Name 1-(buta-1,3-diynylamino)-3-[(5-nitro-4-bicyclo[4.1.0]hepta-1,3,5-trienyl)oxy]propan-2-one
Molecular Mass 270.240 g·mol−1
Heat of Formation 2055.2 ± 16.7 kJ·mol−1
Dipole Moment 3.92 ± 1.08 D
Volume 232.8 Å 3
Surface Area 209.76 Å 2
HOMO Energy -9.54 ± 0.55 eV
LUMO Energy -2.69 ± eV
Point Group Symmetry C1
InChIKey NQYPBNSEXJIHEM-LLVKDONJSA-N
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