Geometry & MOs

Info

ID:

449367

PubChem CID:

135298013

Reduced:

FON8H27C31 (1)

Stoich.:

ABC8D27E31 (1)

Weight, g/mol:

422.140371

ΔHf, kcal/mol:

107.75

Dipole, Da:

13.39

IP(EA), eV:

 -8.69(-2.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2Z)-7-(3-fluoro-5-methylphenyl)-2-(5-pyrimidin-5-yl-1,2-dihydropyrazolo[4,3-b]pyridin-3-ylidene)imidazo[4,5-c]pyridine

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)F)C2=CN=CC3=N/C(=C\4/C5=C(C=CC(=N5)C6=CC(=CN=C6)NC(=O)C7CCCCC7)NN4)/N=C23

DOS

IR

Vibrations