Geometry & MOs

Info

ID:	67123
PubChem CID:	46505916
Reduced:	NO5C33H45 (1)
Stoich.:	AB5C33D45 (1)
Weight, g/mol:	576.381475
ΔH_f, kcal/mol:	-159.24
Dipole, Da:	1.79
IP(EA), eV:	-8.2(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations