4-(1H-Pyrazol-5-Yl)-2-{4-[(3S)-3-Pyrrolidinylamino]-2-Quinazolinyl}Phenol

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Properties Simple | Detailed

Formula C21H20N6O
IUPAC Name 4-(1h-pyrazol-5-yl)-2-[4-(pyrrolidin-3-ylamino)quinazolin-2-yl]phenol
Molecular Mass 372.423 g·mol−1
Heat of Formation 311.9 ± 16.7 kJ·mol−1
Dipole Moment 8.24 ± 1.08 D
Volume 433.17 Å 3
Surface Area 383.41 Å 2
HOMO Energy -8.71 ± 0.55 eV
LUMO Energy 1.91 ± eV
Point Group Symmetry C1
InChIKey DZNFGQDAMCNMLC-AWEZNQCLSA-N
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