Geometry & MOs

Info

ID:

448023

PubChem CID:

135287712

Reduced:

FN4H11C14 (2)

Stoich.:

AB4C11D14 (2)

Weight, g/mol:

507.18413

ΔHf, kcal/mol:

112.95

Dipole, Da:

3.54

IP(EA), eV:

 -8.86(-2.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2Z)-2-[5-(5-cyclohexyloxypyridin-3-yl)-1,2-dihydropyrazolo[4,3-b]pyridin-3-ylidene]-4-(5-methylthiophen-2-yl)imidazo[4,5-c]pyridine

Drug info:

PubChemData

Smile

C1CN(CC1(F)F)CC2=CC(=CN=C2)C3=CC\4=C(NN/C4=C/5\C=C6C(=CN=CC6=N5)C7=CN=CC=C7)N=C3

DOS

IR

Vibrations