(2E)-6-Amino-5-(4-Chlorobenzyl)-4-Ethyl-2-Imino-1(2H)-Pyrimidinol

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Properties Simple | Detailed

Formula C13H16ClN4O+
IUPAC Name [6-amino-5-[(4-chlorophenyl)methyl]-4-ethyl-1-hydroxy-pyrimidin-3-ium-2-yl]azanide
Molecular Mass 279.745 g·mol−1
Heat of Formation 127.2 ± 16.7 kJ·mol−1
Dipole Moment 3.34 ± 1.08 D
Volume 319.98 Å 3
Surface Area 282.24 Å 2
HOMO Energy -8.76 ± 0.55 eV
LUMO Energy -0.89 ± eV
Point Group Symmetry C1
InChIKey ZWCGQUMUTNISIG-DTQAZKPQSA-N
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Elements H C N O Cl