Geometry & MOs

Info

ID:

441662

PubChem CID:

135239201

Reduced:

N3C13H13 (2)

Stoich.:

A3B13C13 (2)

Weight, g/mol:

589.296537

ΔHf, kcal/mol:

164.89

Dipole, Da:

4.1

IP(EA), eV:

 -8.5(-1.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[(2E)-2-[5-(5-cyclohexyloxypyridin-3-yl)-1,2-dihydroindazol-3-ylidene]pyrrolo[2,3-b]pyridin-4-yl]-5-fluorophenyl]-N',N'-dimethylethane-1,2-diamine

Drug info:

PubChemData

Smile

C1CCC(C1)CNCC2=CC(=CN=C2)C3=CC\4=C(C=C3)NN/C4=C/5\C=C6C=CC=NC6=N5

DOS

IR

Vibrations