Geometry & MOs

Info

ID:	67042
PubChem CID:	46505750
Reduced:	ClOC17H19 (1)
Stoich.:	ABC17D19 (1)
Weight, g/mol:	268.182715
ΔH_f, kcal/mol:	-34.27
Dipole, Da:	2.3
IP(EA), eV:	-9.57(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-2-cyclopentyl-5-[(4-ethylphenyl)methylidene]cyclopentan-1-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations