Geometry & MOs

Info

ID:

447998

PubChem CID:

135287448

Reduced:

FO2N6H27C31 (1)

Stoich.:

AB2C6D27E31 (1)

Weight, g/mol:

523.188049

ΔHf, kcal/mol:

63.95

Dipole, Da:

2.71

IP(EA), eV:

 -8.79(-2.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(dimethylamino)-N-[5-[(3Z)-3-[4-(3-fluoro-5-hydroxyphenyl)imidazo[4,5-c]pyridin-2-ylidene]-1,2-dihydropyrazolo[4,3-b]pyridin-5-yl]pyridin-3-yl]acetamide

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)C2=CN=CC3=N/C(=C/4\C5=C(NN4)N=CC(=C5)C6=CC(=CN=C6)OC7CCCCC7)/C=C23)F

DOS

IR

Vibrations