Geometry & MOs

Info

ID:	67041
PubChem CID:	46505749
Reduced:	FOC17H19 (1)
Stoich.:	ABC17D19 (1)
Weight, g/mol:	274.112443
ΔH_f, kcal/mol:	-70.86
Dipole, Da:	3.69
IP(EA), eV:	-9.76(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-2-[(3-chlorophenyl)methylidene]-5-cyclopentylcyclopentan-1-one

Drug info:

PubChemData

Smile

C1CCC(C1)C2CC/C(=C\C3=CC=CC=C3F)/C2=O

DOS

IR

Vibrations