Geometry & MOs

Info

ID:

309040

PubChem CID:

126535272

Reduced:

ClOSN9H24C28 (1)

Stoich.:

ABCD9E24F28 (1)

Weight, g/mol:

528.124756

ΔHf, kcal/mol:

179.17

Dipole, Da:

11.77

IP(EA), eV:

 -8.66(-2.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CNCCC1CC(=O)NC2=CN=CC(=C2)C3=NC\4=C(C=C3)NN/C4=C\5/N=C6C(=CC=NC6=N5)C7=CC=C(S7)Cl

DOS

IR

Vibrations