Geometry & MOs

Info

ID:

442887

PubChem CID:

135256781

Reduced:

O3N8H26C29 (1)

Stoich.:

A3B8C26D29 (1)

Weight, g/mol:

536.20845

ΔHf, kcal/mol:

17.63

Dipole, Da:

4.02

IP(EA), eV:

 -8.99(-1.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[6-(5-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=CN=C(C=C2)C(=O)NC(C)C3=CN=C(C=C3)C4=CN=C(C=C4)OC)NC5=CC(=O)NC=C5

DOS

IR

Vibrations