Geometry & MOs

Info

ID:	67079
PubChem CID:	46505827
Reduced:	O5C26H30 (1)
Stoich.:	A5B26C30 (1)
Weight, g/mol:	380.195172
ΔH_f, kcal/mol:	-132.55
Dipole, Da:	3.2
IP(EA), eV:	-8.2(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1C/C(=C\C2=C(C=CC(=C2)OC)OC)/C(=O)/C(=C\C3=C(C=CC(=C3)OC)OC)/C1

DOS

IR

Vibrations