Geometry & MOs

Info

ID:

442923

PubChem CID:

135256924

Reduced:

ON8H24C28 (1)

Stoich.:

AB8C24D28 (1)

Weight, g/mol:

534.22402

ΔHf, kcal/mol:

118.42

Dipole, Da:

8.06

IP(EA), eV:

 -9.19(-1.39)

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-(methylaminomethylidene)pyrazol-3-yl]amino]pyrimidin-2-yl]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CN=C1)NC2=NC(=NC(=C2)C)C3=CN=C(C=C3)C(=O)NCC4=CN=C(C=C4)C5=CN=CC=C5

DOS

IR

Vibrations