4-[4-[(5-Cyclopropyl-4H-Pyrazol-1-Ium-4-Id-3-Yl)Amino]Quinazolin-2-Yl]Iminocyclohexa-2,5-Diene-1-Carbonitrile

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Properties Simple | Detailed

Formula C21H17N7
IUPAC Name 4-[4-[(5-cyclopropyl-4h-pyrazol-1-ium-4-id-3-yl)amino]quinazolin-2-yl]iminocyclohexa-2,5-diene-1-carbonitrile
Molecular Mass 367.407 g·mol−1
Heat of Formation 896.3 ± 16.7 kJ·mol−1
Dipole Moment 5.65 ± 1.08 D
Volume 435.19 Å 3
Surface Area 390.81 Å 2
HOMO Energy -8.81 ± 0.55 eV
LUMO Energy -1.03 ± eV
Point Group Symmetry C1
InChIKey SEECYRBHJSWALR-XEUWRUEYSA-N
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Elements H C N