Geometry & MOs

Info

ID:

376015

PubChem CID:

134222015

Reduced:

ClO2F4N7H20C25 (1)

Stoich.:

AB2C4D7E20F25 (1)

Weight, g/mol:

514.083796

ΔHf, kcal/mol:

-177.72

Dipole, Da:

6.1

IP(EA), eV:

 -9.12(-1.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[(E)-3-(3-chloro-4-fluoro-5-methylphenyl)-4,4,4-trifluorobut-1-enyl]-N-[(6-chloropyridin-3-yl)methoxy]-2-methoxyaniline

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1/C=C/C(C2=CC(=C(C(=C2)Cl)F)N3C=CC(=NC3=O)N)C(F)(F)F)N4C=CC(=NC4=O)N)CN

DOS

IR

Vibrations