Geometry & MOs

Info

ID:	67040
PubChem CID:	46505748
Reduced:	OC18H22 (1)
Stoich.:	AB18C22 (1)
Weight, g/mol:	258.141993
ΔH_f, kcal/mol:	-33.16
Dipole, Da:	3.15
IP(EA), eV:	-9.34(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1/C=C/2\CCC(C2=O)C3CCCC3

DOS

IR

Vibrations