Geometry & MOs

Info

ID:	67071
PubChem CID:	46505808
Reduced:	O5C29H36 (1)
Stoich.:	A5B29C36 (1)
Weight, g/mol:	380.195172
ΔH_f, kcal/mol:	-148.8
Dipole, Da:	2.77
IP(EA), eV:	-8.27(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations