Geometry & MOs

Info

ID:	411766
PubChem CID:	135084600
Reduced:	BrO2C12H15 (1)
Stoich.:	AB2C12D15 (1)
Weight, g/mol:	174.16198
ΔH_f, kcal/mol:	-57.24
Dipole, Da:	1.65
IP(EA), eV:	-8.73(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4R)-decane-3,4-diol

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(CC(=C)Br)CO

DOS

IR

Vibrations