(1-(2,2-Dimethyl-6-Nitro-2H-1-Benzopyran-4-Yl)-2(1H)-Pyridinylidene)Cyanamide

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Properties Simple | Detailed

Formula C17H24N4O3
IUPAC Name (e)-[1-(2,2-dimethyl-6-nitro-7,8-dihydro-5h-chromene-4a,5,6,7,8,8a-hexaid-4-yl)piperidine-3,4,5,6-tetraid-2-ylidene]cyanamide
Molecular Mass 332.397 g·mol−1
Heat of Formation 247.4 ± 16.7 kJ·mol−1
Dipole Moment 7.65 ± 1.08 D
Volume 372.71 Å 3
Surface Area 324.14 Å 2
HOMO Energy -9.18 ± 0.55 eV
LUMO Energy 1.63 ± eV
Point Group Symmetry C1
InChIKey ZOHLDHMGABPLCB-KNTRCKAVSA-N
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