Geometry & MOs

Info

ID:	13089
PubChem CID:	221054
Reduced:	O3C12H16 (1)
Stoich.:	A3B12C16 (1)
Weight, g/mol:	208.109944
ΔH_f, kcal/mol:	-122.21
Dipole, Da:	7.33
IP(EA), eV:	-10.04(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,5-dimethylhexa-1,5-dienyl)oxolane-2,5-dione

Drug info:

PubChemData

Smile

CC(=C)CCC(=CC1CC(=O)OC1=O)C

DOS

IR

Vibrations