Geometry & MOs

Info

ID:

442906

PubChem CID:

135256855

Reduced:

FON9H26C28 (1)

Stoich.:

ABC9D26E28 (1)

Weight, g/mol:

521.228771

ΔHf, kcal/mol:

66.82

Dipole, Da:

8.6

IP(EA), eV:

 -8.88(-1.28)

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-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]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=C(N=CC(=C5)F)C

DOS

IR

Vibrations