Geometry & MOs

Info

ID:	400059
PubChem CID:	135044905
Reduced:	OC13H22 (1)
Stoich.:	AB13C22 (1)
Weight, g/mol:	268.976977
ΔH_f, kcal/mol:	-87.05
Dipole, Da:	3.95
IP(EA), eV:	-9.82(0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-cyano-2-fluorophenyl) trifluoromethanesulfonate

Drug info:

PubChemData

Smile

CC1CC[C@H]2CC(=O)CCC2(C1C)C

DOS

IR

Vibrations