Geometry & MOs

Info

ID:

446974

PubChem CID:

135279240

Reduced:

FO3N6C26H35 (1)

Stoich.:

AB3C6D26E35 (1)

Weight, g/mol:

500.291117

ΔHf, kcal/mol:

-110.99

Dipole, Da:

2.31

IP(EA), eV:

 -8.75(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-fluoro-3-[4-[5-[[6-[2-(hydroxymethyl)morpholin-4-yl]-2-methylpyrimidin-4-yl]amino]-4-methanimidoyl-2-methylphenyl]piperidin-1-yl]propan-1-ol

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C3CCN(CC3)CC(CF)O)N(N=C2)C4=CC(=NC(=N4)C)N5CCOC(C5)CO

DOS

IR

Vibrations