N~2~-(1H-Benzimidazol-6-Yl)-N~4~-(5-Cyclobutyl-1H-Pyrazol-3-Yl)-2,4-Quinazolinediamine

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Properties Simple | Detailed

Formula C22H20N8
IUPAC Name n2-(benzimidazol-3-ium-7a-ylium-5-yl)-n4-(5-cyclobutyl-4h-pyrazol-1-ium-4-id-3-yl)quinazoline-2,4-diamine
Molecular Mass 396.448 g·mol−1
Heat of Formation 686.6 ± 16.7 kJ·mol−1
Dipole Moment 4.75 ± 1.08 D
Volume 459.09 Å 3
Surface Area 415.84 Å 2
HOMO Energy -8.23 ± 0.55 eV
LUMO Energy 1.21 ± eV
Point Group Symmetry C1
InChIKey DLCOOKRUECVLCI-UHFFFAOYSA-N
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Elements H C N