Geometry & MOs

Info

ID:

442924

PubChem CID:

135256927

Reduced:

ON5H13C14 (2)

Stoich.:

AB5C13D14 (2)

Weight, g/mol:

523.224435

ΔHf, kcal/mol:

124.1

Dipole, Da:

12.68

IP(EA), eV:

 -8.37(-1.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)C2=CN=C(C=C2)C(=O)NCC3=CN=C(C=C3)C4=CN=C(C=C4)OC)NC5=CC(=CNC)N=N5

DOS

IR

Vibrations