Geometry & MOs

Info

ID:

448240

PubChem CID:

135289546

Reduced:

FO2N9H28C34 (1)

Stoich.:

AB2C9D28E34 (1)

Weight, g/mol:

496.159392

ΔHf, kcal/mol:

136.07

Dipole, Da:

6.6

IP(EA), eV:

 -8.55(-2.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)CCOC1=CC(=CC(=C1)C2=CC=NC3=N/C(=C\4/C5=C(C=CC(=N5)C6=CC(=CN=C6)NC(=O)C7=CC=CC=C7)NN4)/N=C23)F

DOS

IR

Vibrations