Geometry & MOs

Info

ID:

442902

PubChem CID:

135256851

Reduced:

ON8H26C28 (1)

Stoich.:

AB8C26D28 (1)

Weight, g/mol:

491.218206

ΔHf, kcal/mol:

111.82

Dipole, Da:

3.88

IP(EA), eV:

 -8.83(-1.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=NN1)NC2=NC(=NC(=C2)C)C3=CN=C(C=C3)C(=O)NC(C)C4=CN=C(C=C4)C5=CC=CC=C5

DOS

IR

Vibrations