8-{2-[2-(2,4-Dioxo-3,4-Dihydro-1(2H)-Pyrimidinyl)Ethoxy]Phenoxy}-2-Indolizinecarbonitrile

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Properties Simple | Detailed

Formula C21H33N4O4+
IUPAC Name 8-[2-[2-(2,4-dioxohexahydropyrimidine-5,6-diid-1-yl)ethoxy]cyclohexoxy]-3,5,6,7-tetrahydro-1h-indolizine-1,2,3,5,6,7,8,8a-octaide-2-carbonitrile
Molecular Mass 405.511 g·mol−1
Heat of Formation -161.1 ± 16.7 kJ·mol−1
Dipole Moment 5.94 ± 1.08 D
Volume 440.25 Å 3
Surface Area 340.05 Å 2
HOMO Energy -8.58 ± 0.55 eV
LUMO Energy 2.24 ± eV
Point Group Symmetry C1
InChIKey UUVBMMWJHPNLHN-UHFFFAOYSA-N
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