Geometry & MOs

Info

ID:	67107
PubChem CID:	46505885
Reduced:	O5C33H44 (1)
Stoich.:	A5B33C44 (1)
Weight, g/mol:	495.9672
ΔH_f, kcal/mol:	-174.99
Dipole, Da:	4.52
IP(EA), eV:	-8.21(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E,6E)-2,6-bis[(3-bromo-4-fluorophenyl)methylidene]-4-ethylcyclohexan-1-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations