Geometry & MOs

Info

ID:	249481
PubChem CID:	103089859
Reduced:	BrClOSC12H16 (1)
Stoich.:	ABCDE12F16 (1)
Weight, g/mol:	246.165351
ΔH_f, kcal/mol:	-51.69
Dipole, Da:	4.38
IP(EA), eV:	-8.65(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methylsulfanyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-ol

Drug info:

PubChemData

Smile

CSCCCC(CC1=C(C=C(C=C1)Br)Cl)O

DOS

IR

Vibrations