Geometry & MOs

Info

ID:	380278
PubChem CID:	134970681
Reduced:	O5C19H28 (1)
Stoich.:	A5B19C28 (1)
Weight, g/mol:	172.005785
ΔH_f, kcal/mol:	-231.97
Dipole, Da:	3.24
IP(EA), eV:	-9.19(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-1,5-dichloropentane-2,4-diol

Drug info:

PubChemData

Smile

CC(=O)OCCC1C[C@H](OC(O1)(C)C)CCOCC2=CC=CC=C2

DOS

IR

Vibrations