Geometry & MOs

Info

ID:

448143

PubChem CID:

135288765

Reduced:

Cl2O2N9H21C28 (1)

Stoich.:

A2B2C9D21E28 (1)

Weight, g/mol:

499.186906

ΔHf, kcal/mol:

109.67

Dipole, Da:

2.3

IP(EA), eV:

 -8.27(-1.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC(C(=O)NC2=CC3=C(C=C2)NN=C3N)N4C=NC(=CC4=O)C5=C(C=CC(=C5)Cl)N6C=C(N=N6)Cl

DOS

IR

Vibrations