Geometry & MOs

Info

ID:	220305
PubChem CID:	85177278
Reduced:	O5C12H20 (1)
Stoich.:	A5B12C20 (1)
Weight, g/mol:	244.131074
ΔH_f, kcal/mol:	-251.82
Dipole, Da:	7.31
IP(EA), eV:	-10.42(0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-methoxy-5-oxooxan-4-yl)butan-2-yl acetate

Drug info:

PubChemData

Smile

CC1(OC(CC(O1)CO)CC2CCC(=O)O2)C

DOS

IR

Vibrations