Geometry & MOs

Info

ID:

448097

PubChem CID:

135288450

Reduced:

O3N8H24C29 (1)

Stoich.:

A3B8C24D29 (1)

Weight, g/mol:

542.140406

ΔHf, kcal/mol:

124.12

Dipole, Da:

8.51

IP(EA), eV:

 -8.45(-2.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CNCCC1OC2=CN=CC(=C2)C3=NC\4=C(C=C3)NN/C4=C\5/N=C6C=CN=C(C6=N5)C7=CC8=C(C=C7)OCO8

DOS

IR

Vibrations