Geometry & MOs

Info

ID:

307534

PubChem CID:

125307401

Reduced:

O11C18H26 (1)

Stoich.:

A11B18C26 (1)

Weight, g/mol:

444.188544

ΔHf, kcal/mol:

-461.33

Dipole, Da:

3.79

IP(EA), eV:

 -9.49(-0.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[4-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]-2-[3-(trifluoromethyl)anilino]-5H-pyrimidin-4-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)O[C@H]2[C@H]([C@H]([C@H]([C@@H](O2)CO)O)O)O[C@@H]3[C@H]([C@@H]([C@H]([C@@H](O3)CO)O)O)O

DOS

IR

Vibrations