Geometry & MOs

Info

ID:	67109
PubChem CID:	46505891
Reduced:	O5C34H46 (1)
Stoich.:	A5B34C46 (1)
Weight, g/mol:	438.219495
ΔH_f, kcal/mol:	-178.66
Dipole, Da:	4.47
IP(EA), eV:	-8.29(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E,6E)-2,6-bis[(4-ethoxyphenyl)methylidene]-4-phenylcyclohexan-1-one

Drug info:

PubChemData

Smile

CCC1C/C(=C\C2=CC(=C(C=C2)OCCC(C)C)OC)/C(=O)/C(=C/C3=CC(=C(C=C3)OCCC(C)C)OC)/C1

DOS

IR

Vibrations