Geometry & MOs

Info

ID:	407773
PubChem CID:	135080528
Reduced:	BBrO2C14H18 (1)
Stoich.:	ABC2D14E18 (1)
Weight, g/mol:	170.02652
ΔH_f, kcal/mol:	-138.52
Dipole, Da:	2.31
IP(EA), eV:	-9.21(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-3,4-dichlorohexan-1-ol

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)C(=C)C2=CC=CC=C2Br

DOS

IR

Vibrations