Geometry & MOs

Info

ID:	67120
PubChem CID:	46505910
Reduced:	OCl2F2H18C26 (1)
Stoich.:	AB2C2D18E26 (1)
Weight, g/mol:	390.219495
ΔH_f, kcal/mol:	-53.02
Dipole, Da:	4.32
IP(EA), eV:	-9.35(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1/C(=C\C2=C(C=CC=C2Cl)F)/C(=O)/C(=C/C3=C(C=CC=C3Cl)F)/CC1C4=CC=CC=C4

DOS

IR

Vibrations