Geometry & MOs

Info

ID:

444482

PubChem CID:

135262596

Reduced:

FO3N6C26H35 (1)

Stoich.:

AB3C6D26E35 (1)

Weight, g/mol:

508.304956

ΔHf, kcal/mol:

-110.98

Dipole, Da:

2.34

IP(EA), eV:

 -8.75(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[6-[(3S)-3-(hydroxymethyl)morpholin-4-yl]-2-methylpyrimidin-4-yl]-5-methyl-6-[1-(oxolan-3-yl)piperidin-4-yl]-2,3-dihydroinden-1-ol

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C3CCN(CC3)CC(CF)O)N(N=C2)C4=CC(=NC(=N4)C)N5CCO[C@@H](C5)CO

DOS

IR

Vibrations