Geometry & MOs

Info

ID:	67073
PubChem CID:	46505812
Reduced:	O3H26C28 (1)
Stoich.:	A3B26C28 (1)
Weight, g/mol:	498.240624
ΔH_f, kcal/mol:	-22.58
Dipole, Da:	4.45
IP(EA), eV:	-8.75(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E,6E)-2,6-bis[(4-ethoxy-3-methoxyphenyl)methylidene]-4-phenylcyclohexan-1-one

Drug info:

PubChemData

Smile

COC1=CC=CC=C1/C=C\2/C(=O)/C(=C/C3=CC=CC=C3OC)/CC(C2)C4=CC=CC=C4

DOS

IR

Vibrations