Geometry & MOs

Info

ID:	24435
PubChem CID:	610278
Reduced:	O5C13H14 (1)
Stoich.:	A5B13C14 (1)
Weight, g/mol:	250.084124
ΔH_f, kcal/mol:	-205.59
Dipole, Da:	4.35
IP(EA), eV:	-9.73(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(9-methyl-3,5-dioxo-4-oxatricyclo[5.2.2.02,6]undec-8-en-8-yl) acetate

Drug info:

PubChemData

Smile

CC1=C(C2CCC1C3C2C(=O)OC3=O)OC(=O)C

DOS

IR

Vibrations