Geometry & MOs

Info

ID:	339239
PubChem CID:	127260618
Reduced:	O3H22C26 (1)
Stoich.:	A3B22C26 (1)
Weight, g/mol:	574.199153
ΔH_f, kcal/mol:	-30.29
Dipole, Da:	3.56
IP(EA), eV:	-8.75(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(E)-[(3E)-3-[(4-benzoyloxy-3-methoxyphenyl)methylidene]-2-oxocyclohexylidene]methyl]-2-methoxyphenyl] benzoate

Drug info:

PubChemData

Smile

C1/C(=C/C2=CC=C(C=C2)O)/C(=O)/C(=C\C3=CC=C(C=C3)O)/CC1C4=CC=CC=C4

DOS

IR

Vibrations