Geometry & MOs

Info

ID:	405793
PubChem CID:	135075454
Reduced:	OSC13H18 (1)
Stoich.:	ABC13D18 (1)
Weight, g/mol:	230.151809
ΔH_f, kcal/mol:	-33.76
Dipole, Da:	3.54
IP(EA), eV:	-8.4(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-(2-hydroxypropan-2-yl)oxan-3-yl]ethyl acetate

Drug info:

PubChemData

Smile

CC(=CCC(CSC1=CC=CC=C1)O)C

DOS

IR

Vibrations