Geometry & MOs

Info

ID:

308968

PubChem CID:

126533088

Reduced:

FON7H24C28 (1)

Stoich.:

ABC7D24E28 (1)

Weight, g/mol:

618.286701

ΔHf, kcal/mol:

121.75

Dipole, Da:

2.98

IP(EA), eV:

 -8.76(-2.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3E)-3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]pyrrolo[3,2-c]pyridin-2-ylidene]-5-(5-piperidin-4-yloxypyridin-3-yl)-1,2-dihydropyrazolo[4,3-b]pyridine

Drug info:

PubChemData

Smile

CN(C)CC1=CC(=CN=C1)C2=CC\3=C(NN/C3=C/4\C=C5C(=CN=CC5=N4)C6=CC(=CC(=C6)F)OC)N=C2

DOS

IR

Vibrations