3-({[3-({(E)-[(2,6-Dioxo-1,2,3,6-Tetrahydro-4-Pyrimidinyl)Methylene]Amino}Oxy)Propyl]Amino}Methyl)Benzoic Acid

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Properties Simple | Detailed

Formula C16H18N4O5
IUPAC Name 3-[[3-[(e)-(2,4-dioxo-1h-pyrimidin-6-yl)methyleneamino]oxypropylamino]methyl]benzoic acid
Molecular Mass 346.338 g·mol−1
Heat of Formation -570.5 ± 16.7 kJ·mol−1
Dipole Moment 6.03 ± 1.08 D
Volume 395.62 Å 3
Surface Area 382.45 Å 2
HOMO Energy -9.63 ± 0.55 eV
LUMO Energy 1.66 ± eV
Point Group Symmetry C1
InChIKey CZTGLADCGFOCLD-VCHYOVAHSA-N
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