Geometry & MOs

Info

ID:	48846
PubChem CID:	11528393
Reduced:	NC11H13 (1)
Stoich.:	AB11C13 (1)
Weight, g/mol:	160.073559
ΔH_f, kcal/mol:	43.48
Dipole, Da:	3.02
IP(EA), eV:	-8.2(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6S)-6-[(1S)-1,2-dihydroxyethyl]oxan-2-one

Drug info:

PubChemData

Smile

C/C=C/[C@@H]1CC=CC2=CC=CN12

DOS

IR

Vibrations