Geometry & MOs

Info

ID:

448132

PubChem CID:

135288688

Reduced:

O2N8H20C25 (1)

Stoich.:

A2B8C20D25 (1)

Weight, g/mol:

508.281141

ΔHf, kcal/mol:

141.27

Dipole, Da:

5.29

IP(EA), eV:

 -8.69(-2.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC(=O)NC1=CN=CC(=C1)C2=NC\3=C(C=C2)NN/C3=C\4/N=C5C=CN=C(C5=N4)C6=COC=C6

DOS

IR

Vibrations