Geometry & MOs

Info

ID:	66998
PubChem CID:	46505670
Reduced:	NO5C30H31 (1)
Stoich.:	AB5C30D31 (1)
Weight, g/mol:	408.193674
ΔH_f, kcal/mol:	-72.68
Dipole, Da:	3.68
IP(EA), eV:	-8.39(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z,5E)-2,5-bis[(4-ethoxy-3-methoxyphenyl)methylidene]cyclopentan-1-one

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1OC)/C=C\2/C(=O)/C(=C/C3=C(C(=CC=C3)OC)OC)/CN(C2)CC4=CC=CC=C4

DOS

IR

Vibrations