Geometry & MOs

Info

ID:

444481

PubChem CID:

135262595

Reduced:

FO3N6C26H35 (1)

Stoich.:

AB3C6D26E35 (1)

Weight, g/mol:

498.275467

ΔHf, kcal/mol:

-114.02

Dipole, Da:

4.15

IP(EA), eV:

 -8.75(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-fluoro-3-[4-[1-[6-[(2S)-2-(hydroxymethyl)morpholin-4-yl]-2-methylpyrimidin-4-yl]-5-methylindazol-6-yl]piperidin-1-yl]propan-2-ol

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C3CCN(CC3F)CC(C)O)N(N=C2)C4=CC(=NC(=N4)C)N5CCO[C@H](C5)CO

DOS

IR

Vibrations