Geometry & MOs

Info

ID:	21007
PubChem CID:	586718
Reduced:	O2C5H7 (2)
Stoich.:	A2B5C7 (2)
Weight, g/mol:	198.089209
ΔH_f, kcal/mol:	-113.67
Dipole, Da:	6.19
IP(EA), eV:	-9.22(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-2,9,10-trioxatricyclo[6.2.2.01,6]dodecan-3-one

Drug info:

PubChemData

Smile

CC12CCC(=O)OC13CCC(C2)OO3

DOS

IR

Vibrations