Geometry & MOs

Info

ID:	67119
PubChem CID:	46505909
Reduced:	OCl2F2H18C22 (1)
Stoich.:	AB2C2D18E22 (1)
Weight, g/mol:	454.070277
ΔH_f, kcal/mol:	-91.37
Dipole, Da:	4.63
IP(EA), eV:	-9.85(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1C/C(=C\C2=C(C=CC=C2Cl)F)/C(=O)/C(=C/C3=C(C=CC=C3Cl)F)/C1

DOS

IR

Vibrations