Geometry & MOs

Info

ID:	48794
PubChem CID:	11528338
Reduced:	BOC6H15 (1)
Stoich.:	ABC6D15 (1)
Weight, g/mol:	116.08373
ΔH_f, kcal/mol:	-109.99
Dipole, Da:	1.7
IP(EA), eV:	-9.77(1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-4-hydroxyhexan-3-one

Drug info:

PubChemData

Smile

B(CC)(CC)OCC

DOS

IR

Vibrations