Geometry & MOs

Info

ID:	292779
PubChem CID:	117358590
Reduced:	ClFO2C12H12 (1)
Stoich.:	ABC2D12E12 (1)
Weight, g/mol:	242.050985
ΔH_f, kcal/mol:	-120.07
Dipole, Da:	4.48
IP(EA), eV:	-9.54(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-chloro-4-fluorophenyl)cyclopentane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1F)C2(CC2)C(=O)O)C)Cl

DOS

IR

Vibrations