Geometry & MOs

Info

ID:	22981
PubChem CID:	600624
Reduced:	O4C13H16 (1)
Stoich.:	A4B13C16 (1)
Weight, g/mol:	236.104859
ΔH_f, kcal/mol:	-136.26
Dipole, Da:	4.19
IP(EA), eV:	-9.98(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-oxo-7-oxatetracyclo[6.4.0.02,6.04,9]dodecan-10-yl) acetate

Drug info:

PubChemData

Smile

CC(=O)OC1CCC2C3C4CC(C1C2O4)C3=O

DOS

IR

Vibrations