Geometry & MOs

Info

ID:

442926

PubChem CID:

135256933

Reduced:

FO2N9H26C28 (1)

Stoich.:

AB2C9D26E28 (1)

Weight, g/mol:

537.240085

ΔHf, kcal/mol:

37.71

Dipole, Da:

4.91

IP(EA), eV:

 -8.85(-1.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[4-[(5-ethyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]-N-[[6-(5-fluoro-2-methylpyridin-3-yl)pyridin-3-yl]methyl]-3-methylpyridine-2-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC(=NN1)NC2=NC(=NC(=C2)C)C3=CC(=C(N=C3)C(=O)NCC4=CN=C(C=C4)C5=CN=C(C=C5)OC)F

DOS

IR

Vibrations