N~2~-(4-Aminophenyl)-N~4~-(5-Cyclopropyl-1H-Pyrazol-3-Yl)-2,4-Quinazolinediamine

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Properties Simple | Detailed

Formula C20H19N7
IUPAC Name n2-(4-aminophenyl)-n4-(5-cyclopropylpyrazol-1-ium-5-ylium-3-yl)quinazoline-2,4-diamine
Molecular Mass 357.412 g·mol−1
Heat of Formation 630.7 ± 16.7 kJ·mol−1
Dipole Moment 2.60 ± 1.08 D
Volume 421.45 Å 3
Surface Area 385.72 Å 2
HOMO Energy -7.89 ± 0.55 eV
LUMO Energy -0.60 ± eV
Point Group Symmetry C1
InChIKey CWKAMSLBSGZMJZ-UHFFFAOYSA-N
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Elements H C N