Geometry & MOs

Info

ID:

442879

PubChem CID:

135256706

Reduced:

FON9H20C27 (1)

Stoich.:

ABC9D20E27 (1)

Weight, g/mol:

508.197137

ΔHf, kcal/mol:

122.99

Dipole, Da:

6.49

IP(EA), eV:

 -9.14(-1.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[[6-(6-methoxypyridin-3-yl)pyridin-3-yl]methyl]-5-[4-methyl-6-[(5-methyl-1,2-oxazol-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=CC=CC=C4)F)NC5=NNC(=C5)C#N

DOS

IR

Vibrations