Geometry & MOs

Info

ID:	448520
PubChem CID:	135291516
Reduced:	IN3C5H12 (1)
Stoich.:	AB3C5D12 (1)
Weight, g/mol:	244.131074
ΔH_f, kcal/mol:	34.02
Dipole, Da:	5.34
IP(EA), eV:	-9.26(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R,5S)-5-[(1S)-1-acetyloxypropyl]-2-methyloxolan-3-yl] acetate

Drug info:

PubChemData

Smile

CNC(=NC)CNCI

DOS

IR

Vibrations