Geometry & MOs

Info

ID:

442866

PubChem CID:

135256689

Reduced:

ON4H12C14 (2)

Stoich.:

AB4C12D14 (2)

Weight, g/mol:

550.2241

ΔHf, kcal/mol:

68.18

Dipole, Da:

5.01

IP(EA), eV:

 -9.44(-1.47)

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-[(1-methyl-2-oxopyridin-4-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=CC=C4)NC5=CC(=O)N(C=C5)C

DOS

IR

Vibrations