3-(2-Methoxy-4-Nitro-Phenyl)-2-Methyl-Quinazolin-1-Ium-4A-Id-4-One

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Properties Simple | Detailed

Formula C16H14N3O4
IUPAC Name 3-(2-methoxy-4-nitro-phenyl)-2-methyl-quinazolin-1-ium-4a-id-4-one
Molecular Mass 312.300 g·mol−1
Heat of Formation -88.8 ± 16.7 kJ·mol−1
Dipole Moment 4.50 ± 1.08 D
Volume 346.63 Å 3
Surface Area 303.54 Å 2
HOMO Energy -9.36 ± 0.55 eV
LUMO Energy 1.41 ± eV
Point Group Symmetry C1
InChIKey NODLZNHJOJNEMG-UHFFFAOYSA-O
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