Geometry & MOs

Info

ID:	412820
PubChem CID:	135085749
Reduced:	BrO2H11C12 (1)
Stoich.:	AB2C11D12 (1)
Weight, g/mol:	272.0694
ΔH_f, kcal/mol:	-24.07
Dipole, Da:	1.92
IP(EA), eV:	-9.37(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,3,3-trimethylcyclohexen-1-yl) trifluoromethanesulfonate

Drug info:

PubChemData

Smile

CC(C1=CC=CO1)OC2=CC=CC=C2Br

DOS

IR

Vibrations