N-[(4-Methoxyphenyl)Methyl]-4-Nitro-2,1,3-Benzoxadiazol-7-Amine

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Properties Simple | Detailed

Formula C14H12N4O4
IUPAC Name n-[(4-methoxyphenyl)methyl]-4-nitro-2,1,3-benzoxadiazol-7-amine
Molecular Mass 300.269 g·mol−1
Heat of Formation 232.7 ± 16.7 kJ·mol−1
Dipole Moment 12.28 ± 1.08 D
Volume 329.72 Å 3
Surface Area 308.96 Å 2
HOMO Energy -9.08 ± 0.55 eV
LUMO Energy -2.13 ± eV
Point Group Symmetry C1
InChIKey QOTHWKLXNBTTKM-UHFFFAOYSA-N
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