Geometry & MOs

Info

ID:

448199

PubChem CID:

135289199

Reduced:

N7H17C24 (1)

Stoich.:

A7B17C24 (1)

Weight, g/mol:

512.154307

ΔHf, kcal/mol:

207.63

Dipole, Da:

3.33

IP(EA), eV:

 -8.47(-1.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2Z)-7-(5-fluorothiophen-2-yl)-2-[5-(5-piperidin-4-yloxypyridin-3-yl)-1,2-dihydropyrazolo[4,3-b]pyridin-3-ylidene]imidazo[4,5-b]pyridine

Drug info:

PubChemData

Smile

C1=CC(=CN=C1)C2=NC=CC3=N/C(=C\4/C5=C(C=CC(=C5)C6=CC(=CN=C6)N)NN4)/C=C32

DOS

IR

Vibrations