Geometry & MOs

Info

ID:

444480

PubChem CID:

135262594

Reduced:

ClO3N6C25H31 (1)

Stoich.:

AB3C6D25E31 (1)

Weight, g/mol:

498.275467

ΔHf, kcal/mol:

-54.19

Dipole, Da:

5.02

IP(EA), eV:

 -9.01(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC(=CC(=N1)N2CCO[C@@H](C2)CO)N3C4=CC(=C(C=C4C=N3)Cl)C5CCN(CC5)CC(=O)C

DOS

IR

Vibrations