Geometry & MOs

Info

ID:	206592
PubChem CID:	80269675
Reduced:	BrF2C13H15 (1)
Stoich.:	AB2C13D15 (1)
Weight, g/mol:	280.178693
ΔH_f, kcal/mol:	-97.64
Dipole, Da:	2.15
IP(EA), eV:	-9.85(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-(1-ethylcyclopentyl)-1,3,4-oxadiazol-2-yl]-3,3-dimethylbutanoic acid

Drug info:

PubChemData

Smile

CC1(CCCC1)C(C2=C(C=C(C=C2)F)F)Br

DOS

IR

Vibrations