1-(2,6-Dichloro-3H-Pyridin-1-Ium-3-Id-4-Yl)-3-[(4-Isopropyl-1,3-Dimethyl-Pyrazolo[3,4-B]Pyridin-7-Ium-3A-Id-6-Yl)Amino]Urea

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Properties Simple | Detailed

Formula C17H21Cl2N7O
IUPAC Name 1-(2,6-dichloro-3h-pyridin-1-ium-3-id-4-yl)-3-[(4-isopropyl-1,3-dimethyl-pyrazolo[3,4-b]pyridin-7-ium-3a-id-6-yl)amino]urea
Molecular Mass 410.301 g·mol−1
Heat of Formation 202.2 ± 16.7 kJ·mol−1
Dipole Moment 6.62 ± 1.08 D
Volume 462.31 Å 3
Surface Area 398.95 Å 2
HOMO Energy -9.02 ± 0.55 eV
LUMO Energy 2.04 ± eV
Point Group Symmetry C1
InChIKey UEMXJLUOLBKZAB-UHFFFAOYSA-O
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Elements H C N O Cl