Geometry & MOs

Info

ID:

447854

PubChem CID:

135286366

Reduced:

ClF2O2N3H20C26 (1)

Stoich.:

AB2C2D3E20F26 (1)

Weight, g/mol:

502.222957

ΔHf, kcal/mol:

-72.5

Dipole, Da:

3.42

IP(EA), eV:

 -9.34(-1.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3,3-dimethyl-N-[5-[(3Z)-3-(4-pyridin-3-ylpyrrolo[3,2-c]pyridin-2-ylidene)-1,2-dihydropyrazolo[3,4-b]pyridin-5-yl]pyridin-3-yl]butanamide

Drug info:

PubChemData

Smile

CC(C1=C(C=CC(=C1)C#N)F)NC2=C(C=NC3=CC(=C(C=C32)C4=CC=C(C=C4)C(CO)O)F)Cl

DOS

IR

Vibrations