Geometry & MOs

Info

ID:	222387
PubChem CID:	85297332
Reduced:	IN2O5C14H15 (1)
Stoich.:	AB2C5D14E15 (1)
Weight, g/mol:	418.178024
ΔH_f, kcal/mol:	-129.88
Dipole, Da:	3.64
IP(EA), eV:	-9.23(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[3,5-bis[(4-methoxyphenyl)methylidene]-4-oxocyclohexylidene]acetate

Drug info:

PubChemData

Smile

C1CC1C2=C(C3=CN(C(=O)N=C3O2)C4CC(C(O4)CO)O)I

DOS

IR

Vibrations