Geometry & MOs

Info

ID:	302953
PubChem CID:	124488999
Reduced:	BrOC11H15 (1)
Stoich.:	ABC11D15 (1)
Weight, g/mol:	210.081143
ΔH_f, kcal/mol:	-45.48
Dipole, Da:	3.35
IP(EA), eV:	-9.4(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,3R)-3-(2-chlorophenyl)cyclohexan-1-ol

Drug info:

PubChemData

Smile

C[C@H](CCCC1=CC=C(C=C1)Br)O

DOS

IR

Vibrations