N'-[3-(2,6-Dichloro-4-Methoxy-Phenyl)-2,5-Dimethyl-Pyrazolo[1,5-A]Pyrimidin-4-Ium-3-Id-7-Yl]-N-Tetrahydropyran-4-Yl-Ethane-1,2-Diamine

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Properties Simple | Detailed

Formula C22H28Cl2N5O2
IUPAC Name n'-[3-(2,6-dichloro-4-methoxy-phenyl)-2,5-dimethyl-pyrazolo[1,5-a]pyrimidin-4-ium-3-id-7-yl]-n-tetrahydropyran-4-yl-ethane-1,2-diamine
Molecular Mass 465.396 g·mol−1
Heat of Formation -106.3 ± 16.7 kJ·mol−1
Dipole Moment 3.59 ± 1.08 D
Volume 528.43 Å 3
Surface Area 456.03 Å 2
HOMO Energy -8.31 ± 0.55 eV
LUMO Energy 2.73 ± eV
Point Group Symmetry C1
InChIKey CVDHHWLATJDMTO-UHFFFAOYSA-O
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Elements H C N O Cl