[4-({4-[(5-Cyclopropyl-1H-Pyrazol-3-Yl)Amino]-2-Quinazolinyl}Imino)-2,5-Cyclohexadien-1-Yl]Acetonitrile

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Formula C22H19N7
IUPAC Name 2-[4-[4-[(5-cyclopropyl-1h-pyrazol-3-yl)amino]quinazolin-2-yl]iminocyclohexa-2,5-dien-1-yl]acetonitrile
Molecular Mass 381.433 g·mol−1
Heat of Formation 858.6 ± 16.7 kJ·mol−1
Dipole Moment 5.16 ± 1.08 D
Volume 465.59 Å 3
Surface Area 388.75 Å 2
HOMO Energy -8.65 ± 0.55 eV
LUMO Energy -0.95 ± eV
Point Group Symmetry C1
InChIKey AWMNWCNUTIFHRJ-AEXIOTRNSA-N
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Elements H C N