Geometry & MOs

Info

ID:	67082
PubChem CID:	46505833
Reduced:	OF2C24H24 (1)
Stoich.:	AB2C24D24 (1)
Weight, g/mol:	502.03299
ΔH_f, kcal/mol:	-84.64
Dipole, Da:	4.5
IP(EA), eV:	-9.44(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z,6E)-2,6-bis[(2-bromophenyl)methylidene]-4-(2-methylbutan-2-yl)cyclohexan-1-one

Drug info:

PubChemData

Smile

CC(C)(C)C1C/C(=C\C2=CC=C(C=C2)F)/C(=O)/C(=C\C3=CC=C(C=C3)F)/C1

DOS

IR

Vibrations