Geometry & MOs

Info

ID:	413712
PubChem CID:	135086662
Reduced:	OC7H8 (2)
Stoich.:	AB7C8 (2)
Weight, g/mol:	296.046078
ΔH_f, kcal/mol:	-79.59
Dipole, Da:	2.75
IP(EA), eV:	-9.01(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4R,5S)-5-chlorooctan-4-yl] trifluoromethanesulfonate

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)CC2C(=O)CCC2=O

DOS

IR

Vibrations