Geometry & MOs

Info

ID:	67051
PubChem CID:	46505767
Reduced:	O5C32H42 (1)
Stoich.:	A5B32C42 (1)
Weight, g/mol:	520.318875
ΔH_f, kcal/mol:	-168.61
Dipole, Da:	3.46
IP(EA), eV:	-8.03(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCOC1=C(C=C(C=C1)/C=C\2/C(=O)/C(=C/C3=CC(=C(C=C3)OCCCC)OCC)/CCC2)OCC

DOS

IR

Vibrations