Geometry & MOs

Info

ID:

442877

PubChem CID:

135256704

Reduced:

FO2N10H21C27 (1)

Stoich.:

AB2C10D21E27 (1)

Weight, g/mol:

548.23967

ΔHf, kcal/mol:

88.47

Dipole, Da:

6.38

IP(EA), eV:

 -8.88(-1.59)

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-[[(5E)-5-(methylaminomethylidene)pyrazol-3-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=CN=C(C=C4)OC)F)NC5=NNC(=C5)C#N

DOS

IR

Vibrations