Geometry & MOs

Info

ID:	67085
PubChem CID:	46505845
Reduced:	O7C31H40 (1)
Stoich.:	A7B31C40 (1)
Weight, g/mol:	464.256274
ΔH_f, kcal/mol:	-218.69
Dipole, Da:	8.37
IP(EA), eV:	-8.22(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C1C/C(=C\C2=CC(=C(C=C2OC)OC)OC)/C(=O)/C(=C/C3=CC(=C(C=C3OC)OC)OC)/C1)(C)C

DOS

IR

Vibrations