Geometry & MOs

Info

ID:

231957

PubChem CID:

87575000

Reduced:

ClN5O6H14C18 (1)

Stoich.:

AB5C6D14E18 (1)

Weight, g/mol:

770.157559

ΔHf, kcal/mol:

-58.34

Dipole, Da:

4.91

IP(EA), eV:

 -9.71(-2.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(2,4-difluorophenyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide;N-(4-fluorophenyl)-6-[3-(trifluoromethyl)phenoxy]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC\1=C(C(=O)N(C(=O)/C1=N/NC2=C(C=C(C=C2)Cl)[N+](=O)[O-])CCOC(=O)C=C)C#N

DOS

IR

Vibrations