Geometry & MOs

Info

ID:

442884

PubChem CID:

135256773

Reduced:

OF2N8H22C30 (1)

Stoich.:

AB2C8D22E30 (1)

Weight, g/mol:

536.20845

ΔHf, kcal/mol:

52.81

Dipole, Da:

12.12

IP(EA), eV:

 -9.43(-1.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)C2=CC(=C(N=C2)C(=O)NCC3=CN=C(C=C3)C4=C(N=CC(=C4)F)C)F)NC5=CC=CC(=C5)C#N

DOS

IR

Vibrations