Geometry & MOs

Info

ID:

228968

PubChem CID:

87566506

Reduced:

SiZrCl2H42C52 (1)

Stoich.:

ABC2D42E52 (1)

Weight, g/mol:

325.072591

ΔHf, kcal/mol:

174.46

Dipole, Da:

12.78

IP(EA), eV:

 -7.11(-2.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(E)-1-(4-fluoro-3-methoxyphenyl)-3-[6-(trifluoromethyl)pyridin-3-yl]prop-2-en-1-one

Drug info:

PubChemData

Smile

CC1=CC2=C([CH-]1)C=CC=C2C3=CC=CC4=CC=CC=C43.CC1=CC2=C([CH-]1)C=CC=C2C3=CC=CC4=CC=CC=C43.C1=CC=C(C=C1)[Si](=[Zr+2])C2=CC=CC=C2.Cl.Cl

DOS

IR

Vibrations