Geometry & MOs

Info

ID:

439491

PubChem CID:

135229265

Reduced:

Cl2N2O2F6H18C29 (1)

Stoich.:

A2B2C2D6E18F29 (1)

Weight, g/mol:

478.215747

ΔHf, kcal/mol:

-247.68

Dipole, Da:

6.64

IP(EA), eV:

 -9.76(-1.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[8-ethenyl-2-[(2E,4Z)-3-(1,10-phenanthrolin-2-yl)hepta-2,4-dien-6-ynyl]-7H-cyclohepta[b]pyridin-9-yl]ethanimine

Drug info:

PubChemData

Smile

C/C(=C\C=C(/C)\OC1=C(C(=CC=C1)Cl)C#N)/C(C2=CC=C(C=C2)OC3=C(C(=CC=C3)Cl)C#N)(C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations