Geometry & MOs

Info

ID:	67002
PubChem CID:	46505680
Reduced:	NOCl2F2H15C20 (1)
Stoich.:	ABC2D2E15F20 (1)
Weight, g/mol:	392.054627
ΔH_f, kcal/mol:	-68.76
Dipole, Da:	3.12
IP(EA), eV:	-9.11(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C/C(=C\C2=C(C=CC=C2Cl)F)/C(=O)/C(=C/C3=C(C=CC=C3Cl)F)/C1

DOS

IR

Vibrations