Geometry & MOs

Info

ID:

442900

PubChem CID:

135256838

Reduced:

FOSN9H18C26 (1)

Stoich.:

ABCD9E18F26 (1)

Weight, g/mol:

494.197886

ΔHf, kcal/mol:

137.18

Dipole, Da:

5.74

IP(EA), eV:

 -9.16(-2.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)C2=CC(=C(N=C2)C(=O)NCC3=CN=C(C=C3)C4=CC=CC=C4)F)NC5=NSC(=N5)C#N

DOS

IR

Vibrations