Geometry & MOs

Info

ID:	294285
PubChem CID:	117450088
Reduced:	FO3C16H21 (1)
Stoich.:	AB3C16D21 (1)
Weight, g/mol:	280.147473
ΔH_f, kcal/mol:	-161.76
Dipole, Da:	6.97
IP(EA), eV:	-9.57(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-fluoro-2-methoxy-5-propan-2-ylphenyl)cyclopentane-1-carboxylic acid

Drug info:

PubChemData

Smile

CCC1=C(C(=C(C=C1C(CC(=O)O)C2CC2)F)C)OC

DOS

IR

Vibrations