Geometry & MOs

Info

ID:	340937
PubChem CID:	127263372
Reduced:	BrCl2O2H5C8 (1)
Stoich.:	AB2C2D5E8 (1)
Weight, g/mol:	268.00989
ΔH_f, kcal/mol:	-66.25
Dipole, Da:	3.18
IP(EA), eV:	-9.91(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-bromophenyl)-5-hydroxycyclohexan-1-one

Drug info:

PubChemData

Smile

COC(=O)C1=C(C(=C(C=C1)Br)Cl)Cl

DOS

IR

Vibrations