Geometry & MOs

Info

ID:	293741
PubChem CID:	117398812
Reduced:	O2F3C13H13 (1)
Stoich.:	A2B3C13D13 (1)
Weight, g/mol:	258.086764
ΔH_f, kcal/mol:	-227.53
Dipole, Da:	4.23
IP(EA), eV:	-10.45(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2,3-difluoro-5-(fluoromethyl)phenyl]cyclopentane-1-carboxylic acid

Drug info:

PubChemData

Smile

C1CCC(C1)(C2=CC(=C(C=C2)C(F)F)F)C(=O)O

DOS

IR

Vibrations