Geometry & MOs

Info

ID:

442853

PubChem CID:

135256621

Reduced:

OF2N10H22C26 (1)

Stoich.:

AB2C10D22E26 (1)

Weight, g/mol:

540.214598

ΔHf, kcal/mol:

44.68

Dipole, Da:

7.75

IP(EA), eV:

 -8.97(-1.6)

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]-3-fluoro-N-[[5-(6-methoxypyridin-3-yl)pyrazin-2-yl]methyl]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=N4)C5=C(N=CC(=C5)F)C)F

DOS

IR

Vibrations