Geometry & MOs

Info

ID:	67054
PubChem CID:	46505772
Reduced:	O3C22H24 (1)
Stoich.:	A3B22C24 (1)
Weight, g/mol:	258.141993
ΔH_f, kcal/mol:	-72.95
Dipole, Da:	6.04
IP(EA), eV:	-8.51(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-2-cyclopentyl-5-[(3-fluorophenyl)methylidene]cyclopentan-1-one

Drug info:

PubChemData

Smile

CCCCOC1=C(C=C(C=C1)/C=C/2\CC3=CC=CC=C3C2=O)OCC

DOS

IR

Vibrations