Geometry & MOs

Info

ID:	383190
PubChem CID:	134974765
Reduced:	OC5H9 (2)
Stoich.:	AB5C9 (2)
Weight, g/mol:	254.151809
ΔH_f, kcal/mol:	-119.25
Dipole, Da:	3.36
IP(EA), eV:	-9.47(2.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-methyl-4-oxofuran-3-yl)butyl 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

CC1CO[C@@H]2[C@]1(CCCCC2)O

DOS

IR

Vibrations