Geometry & MOs

Info

ID:

442886

PubChem CID:

135256780

Reduced:

O2N8H26C31 (1)

Stoich.:

A2B8C26D31 (1)

Weight, g/mol:

534.212787

ΔHf, kcal/mol:

98.94

Dipole, Da:

9.64

IP(EA), eV:

 -8.96(-1.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[6-(6-methoxypyridin-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=CC(=C5)C#N

DOS

IR

Vibrations