Geometry & MOs

Info

ID:

442910

PubChem CID:

135256859

Reduced:

OF2N10H20C24 (1)

Stoich.:

AB2C10D20E24 (1)

Weight, g/mol:

537.240085

ΔHf, kcal/mol:

59.87

Dipole, Da:

8.13

IP(EA), eV:

 -8.97(-1.56)

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-[1-[6-(5-fluoro-2-methylpyridin-3-yl)pyridin-3-yl]ethyl]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NN1)NC2=NC(=NC(=C2)C)C3=CC(=C(N=C3)C(=O)NCC4=CN=C(C=C4)N5C=C(C=N5)F)F

DOS

IR

Vibrations