Geometry & MOs

Info

ID:	405777
PubChem CID:	135075436
Reduced:	BrClOC10H10 (1)
Stoich.:	ABCD10E10 (1)
Weight, g/mol:	218.02652
ΔH_f, kcal/mol:	-5.48
Dipole, Da:	3.06
IP(EA), eV:	-9.6(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R)-2,3-dichloro-3-(4-methylphenyl)propan-1-ol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC/C(=C/Br)/Cl

DOS

IR

Vibrations