Geometry & MOs

Info

ID:

439490

PubChem CID:

135229264

Reduced:

N3O3C51H53 (1)

Stoich.:

A3B3C51D53 (1)

Weight, g/mol:

610.064952

ΔHf, kcal/mol:

12.71

Dipole, Da:

2.32

IP(EA), eV:

 -7.73(0.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-chloro-6-[4-[(3E,5E)-6-(3-chloro-2-cyanophenoxy)-1,1,1-trifluoro-3-methyl-2-(trifluoromethyl)hepta-3,5-dien-2-yl]phenoxy]benzonitrile

Drug info:

PubChemData

Smile

CCN1C(=C(C2=CC=CC=C21)C(CC3(C4=CC=CC=C4C(=O)O3)C5=C(C=C(C=C5)N(CC)CC)OCC6=CC=C(C=C6)C=C)C7=C(N(C8=CC=CC=C87)CC)C)C

DOS

IR

Vibrations