Geometry & MOs

Info

ID:	67077
PubChem CID:	46505822
Reduced:	OF2H20C22 (1)
Stoich.:	AB2C20D22 (1)
Weight, g/mol:	422.209324
ΔH_f, kcal/mol:	-74.0
Dipole, Da:	4.04
IP(EA), eV:	-9.74(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z,6E)-2,6-bis[(2,4-dimethoxyphenyl)methylidene]-4-ethylcyclohexan-1-one

Drug info:

PubChemData

Smile

CCC1C/C(=C\C2=CC=CC=C2F)/C(=O)/C(=C/C3=CC=CC=C3F)/C1

DOS

IR

Vibrations