Geometry & MOs

Info

ID:	67025
PubChem CID:	46505721
Reduced:	OBr2F2H16C21 (1)
Stoich.:	AB2C2D16E21 (1)
Weight, g/mol:	344.214016
ΔH_f, kcal/mol:	-61.99
Dipole, Da:	1.91
IP(EA), eV:	-9.85(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z,6E)-2,6-bis[(4-ethylphenyl)methylidene]-4-methylcyclohexan-1-one

Drug info:

PubChemData

Smile

CC1C/C(=C\C2=CC(=C(C=C2)F)Br)/C(=O)/C(=C/C3=CC(=C(C=C3)F)Br)/C1

DOS

IR

Vibrations