Geometry & MOs

Info

ID:

444100

PubChem CID:

135261325

Reduced:

ON8H28C30 (1)

Stoich.:

AB8C28D30 (1)

Weight, g/mol:

550.260486

ΔHf, kcal/mol:

179.25

Dipole, Da:

3.02

IP(EA), eV:

 -8.29(-2.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-[(2Z)-2-[5-[5-[(dimethylamino)methyl]pyridin-3-yl]-1,2-dihydropyrazolo[3,4-c]pyridin-3-ylidene]pyrrolo[3,2-c]pyridin-4-yl]-5-fluorophenoxy]-N,N-dimethylethanamine

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=NC=CC3=N/C(=C\4/C5=CC(=NC=C5NN4)C6=CC(=CN=C6)OCC7=CC=CC=C7)/C=C32

DOS

IR

Vibrations