4-[(5Z)-4-Amino-5-(7-Methoxy-2H-Indol-2-Ylidene)-1,5-Dihydroimidazo[5,1-F][1,2,4]Triazin-7-Yl]Cyclohexanecarboxylic Acid

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Properties Simple | Detailed

Formula C21H23N6O3
IUPAC Name 4-[(5z)-4-amino-5-(7-methoxyindol-2-ylidene)-1h-imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid
Molecular Mass 407.446 g·mol−1
Heat of Formation 185.9 ± 16.7 kJ·mol−1
Dipole Moment 10.37 ± 1.08 D
Volume 466.46 Å 3
Surface Area 404.66 Å 2
HOMO Energy -7.64 ± 0.55 eV
LUMO Energy -2.36 ± eV
Point Group Symmetry C1
InChIKey CDNMDRUIGNHEMR-FLKUCKMJSA-N
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