Geometry & MOs

Info

ID:	382992
PubChem CID:	134974465
Reduced:	IOC10H12 (4)
Stoich.:	ABC10D12 (4)
Weight, g/mol:	272.101271
ΔH_f, kcal/mol:	-26.5
Dipole, Da:	3.06
IP(EA), eV:	-8.66(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-bis(4-fluorophenyl)cyclopentan-1-one

Drug info:

PubChemData

Smile

CCCO[C@H]1[C@@H]2C[C@H](C=C1CC3=CC(=CC(=C3OCCC)CC4=CC(=CC(=C4OCCC)CC5=C(C(=CC(=C5)I)C2)OCCC)I)I)I

DOS

IR

Vibrations