Geometry & MOs

Info

ID:	294287
PubChem CID:	117450170
Reduced:	FN2O2C15H21 (1)
Stoich.:	AB2C2D15E21 (1)
Weight, g/mol:	280.093329
ΔH_f, kcal/mol:	-100.74
Dipole, Da:	4.74
IP(EA), eV:	-8.7(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1CC(CC1C2=C3C(=C(C=C2)F)OCCCO3)CN

DOS

IR

Vibrations