Geometry & MOs

Info

ID:

379495

PubChem CID:

134436623

Reduced:

ClF2O3N6C28H29 (1)

Stoich.:

AB2C3D6E28F29 (1)

Weight, g/mol:

600.236415

ΔHf, kcal/mol:

-84.98

Dipole, Da:

4.19

IP(EA), eV:

 -8.41(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[6-[6-[(5-chloro-6-methoxypyridin-3-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyridin-3-yl]-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC(C)(COC1=CN2C(=C(C=N2)Cl)C(=C1)C3=CN=C(C=C3)N4CC5CC(C4)N5CC6=CN=C(C=C6)OC(F)F)O

DOS

IR

Vibrations