(5S)-2-Amino-5-(1-Ethyl-1H-Pyrazol-4-Yl)-3-Methyl-5-[3-(5-Pyrimidinyl)Phenyl]-3,5-Dihydro-4H-Imidazol-4-One

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Properties Simple | Detailed

Formula C19H19N7O
IUPAC Name (5s)-2-amino-5-(2-ethyl-3h-pyrazol-2-ium-3-ylium-4-yl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one
Molecular Mass 361.400 g·mol−1
Heat of Formation 388.1 ± 16.7 kJ·mol−1
Dipole Moment 8.73 ± 1.08 D
Volume 422.91 Å 3
Surface Area 371.48 Å 2
HOMO Energy -9.29 ± 0.55 eV
LUMO Energy 2.36 ± eV
Point Group Symmetry C1
InChIKey DNDFMOOQRXKYQL-IBGZPJMESA-N
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