Geometry & MOs

Info

ID:

83452

PubChem CID:

49857608

Reduced:

O11H30C40 (1)

Stoich.:

A11B30C40 (1)

Weight, g/mol:

529.161326

ΔHf, kcal/mol:

-293.19

Dipole, Da:

6.41

IP(EA), eV:

 -8.74(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[6-(phenylmethoxymethyl)pyrimidin-4-yl]oxy-N-[3-(trifluoromethyl)phenyl]naphthalene-1-carboxamide

Drug info:

PubChemData

Smile

C1C2=CC(=C(C=C2C3C1(COC4=C3C=CC(=C4OC/C=C/COC5=CC6=C(C=C5)C7(C8=C(O6)C=C(C=C8)O)C9=CC=CC=C9C(=O)O7)O)O)O)O

DOS

IR

Vibrations