Geometry & MOs

Info

ID:

442907

PubChem CID:

135256856

Reduced:

O2N9H27C28 (1)

Stoich.:

A2B9C27D28 (1)

Weight, g/mol:

541.215013

ΔHf, kcal/mol:

77.46

Dipole, Da:

3.65

IP(EA), eV:

 -8.84(-1.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-fluoro-N-[1-[6-(5-fluoro-2-methylpyridin-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

CC1=CC(=NN1)NC2=NC(=NC(=C2)C)C3=CN=C(C=C3)C(=O)NC(C)C4=CN=C(C=C4)C5=CN=C(C=C5)OC

DOS

IR

Vibrations