Geometry & MOs

Info

ID:	67127
PubChem CID:	46505921
Reduced:	O5C34H46 (1)
Stoich.:	A5B34C46 (1)
Weight, g/mol:	582.334525
ΔH_f, kcal/mol:	-178.05
Dipole, Da:	2.58
IP(EA), eV:	-8.13(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z,6E)-2,6-bis[(4-butoxy-3-ethoxyphenyl)methylidene]-4-phenylcyclohexan-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)CC)OCC

DOS

IR

Vibrations