Geometry & MOs

Info

ID:

447862

PubChem CID:

135286416

Reduced:

FON7H18C24 (1)

Stoich.:

ABC7D18E24 (1)

Weight, g/mol:

514.157581

ΔHf, kcal/mol:

130.15

Dipole, Da:

5.17

IP(EA), eV:

 -8.48(-2.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2=CC\3=C(NN/C3=C\4/C=C5C(=N4)C=CN=C5C6=CC(=CC(=C6)F)OC)N=C2

DOS

IR

Vibrations