Geometry & MOs

Info

ID:	389402
PubChem CID:	134992715
Reduced:	OBr2C9H10 (1)
Stoich.:	AB2C9D10 (1)
Weight, g/mol:	250.05684
ΔH_f, kcal/mol:	-29.48
Dipole, Da:	2.47
IP(EA), eV:	-9.88(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S,3S)-1-bromo-1-cyclohexylbutane-2,3-diol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[C@H](C(CO)Br)Br

DOS

IR

Vibrations