Geometry & MOs

Info

ID:	67126
PubChem CID:	46505919
Reduced:	O5C36H50 (1)
Stoich.:	A5B36C50 (1)
Weight, g/mol:	534.334525
ΔH_f, kcal/mol:	-183.89
Dipole, Da:	5.04
IP(EA), eV:	-8.04(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z,6E)-2,6-bis[(4-butoxy-3-ethoxyphenyl)methylidene]-4-ethylcyclohexan-1-one

Drug info:

PubChemData

Smile

CCCCOC1=C(C=C(C=C1)/C=C/2\CC(C/C(=C/C3=CC(=C(C=C3)OCCCC)OCC)/C2=O)C(C)(C)C)OCC

DOS

IR

Vibrations