Geometry & MOs

Info

ID:

442905

PubChem CID:

135256854

Reduced:

FON10H25C26 (1)

Stoich.:

ABC10D25E26 (1)

Weight, g/mol:

523.224435

ΔHf, kcal/mol:

88.72

Dipole, Da:

6.2

IP(EA), eV:

 -8.86(-1.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[6-(5-fluoro-2-methylpyridin-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

CCC1=CC(=NN1)NC2=NC(=NC(=C2)C)C3=CN=C(C(=C3)C)C(=O)NCC4=CN=C(C=C4)N5C=C(C=N5)F

DOS

IR

Vibrations