Geometry & MOs

Info

ID:	161705
PubChem CID:	57392381
Reduced:	ClO4H25C28 (1)
Stoich.:	AB4C25D28 (1)
Weight, g/mol:	444.173687
ΔH_f, kcal/mol:	-54.12
Dipole, Da:	7.3
IP(EA), eV:	-8.55(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1E,4E)-1-[2,4-dimethoxy-6-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]-5-(3-fluorophenyl)penta-1,4-dien-3-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)/C=C/C2=C(C(=CC(=C2)OC)OC)/C=C/C(=O)/C=C/C3=CC=CC=C3Cl

DOS

IR

Vibrations