Hydroxy{3-[1-(2-Hydroxyphenyl)-2-Oxo-1,2,3,6-Tetrahydro-4-Pyrimidinyl]Phenyl}Oxido-Lambda~5~-Azanyl

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Properties Simple | Detailed

Formula C16H13N3O4
IUPAC Name 3-(2-hydroxyphenyl)-6-(3-nitrophenyl)-1,4-dihydropyrimidin-2-one
Molecular Mass 311.292 g·mol−1
Heat of Formation -87.1 ± 16.7 kJ·mol−1
Dipole Moment 5.55 ± 1.08 D
Volume 342.13 Å 3
Surface Area 313.64 Å 2
HOMO Energy -8.68 ± 0.55 eV
LUMO Energy -1.81 ± eV
Point Group Symmetry C1
InChIKey NNDDADLBZOFSLH-UHFFFAOYSA-N
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