Geometry & MOs

Info

ID:	401187
PubChem CID:	135050515
Reduced:	O5C17H24 (1)
Stoich.:	A5B17C24 (1)
Weight, g/mol:	214.078572
ΔH_f, kcal/mol:	-229.44
Dipole, Da:	0.45
IP(EA), eV:	-9.74(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethylalumanyl 2,3-dimethyl-5-oxooxolane-2-carboxylate

Drug info:

PubChemData

Smile

CC12CCCC(=C)C1CC(C(=O)C2)(CC(=O)OC)C(=O)OC

DOS

IR

Vibrations