Geometry & MOs

Info

ID:	221381
PubChem CID:	85272333
Reduced:	OC3H6 (4)
Stoich.:	AB3C6 (4)
Weight, g/mol:	232.14633
ΔH_f, kcal/mol:	-228.24
Dipole, Da:	3.69
IP(EA), eV:	-10.24(0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9,13-dimethyltetracyclo[5.5.1.01,9.04,13]tridecane-6,10-dione

Drug info:

PubChemData

Smile

CCCCC(C(C)O)C(C(C)C(=O)OC)O

DOS

IR

Vibrations