Geometry & MOs

Info

ID:	201876
PubChem CID:	79595408
Reduced:	BrClOSH10C12 (1)
Stoich.:	ABCDE10F12 (1)
Weight, g/mol:	288.01835
ΔH_f, kcal/mol:	-7.06
Dipole, Da:	2.48
IP(EA), eV:	-9.43(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-bromothiophen-3-yl)-4,4-dimethylcyclohexan-1-ol

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Cl)CC(C2=CSC=C2Br)O

DOS

IR

Vibrations