Geometry & MOs

Info

ID:

442897

PubChem CID:

135256793

Reduced:

OF2N9H27C29 (1)

Stoich.:

AB2C9D27E29 (1)

Weight, g/mol:

539.219349

ΔHf, kcal/mol:

19.75

Dipole, Da:

8.59

IP(EA), eV:

 -9.0(-1.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-fluoro-N-[1-[6-(6-methoxypyridin-3-yl)pyridin-3-yl]ethyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC(=NN1)NC2=NC(=NC(=C2)C)C3=CC(=C(N=C3)C(=O)NC(C)C4=CN=C(C=C4)C5=C(N=CC(=C5)F)C)F

DOS

IR

Vibrations