Geometry & MOs

Info

ID:	386932
PubChem CID:	134983418
Reduced:	O6C17H20 (1)
Stoich.:	A6B17C20 (1)
Weight, g/mol:	348.157288
ΔH_f, kcal/mol:	-233.83
Dipole, Da:	4.39
IP(EA), eV:	-9.41(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 4-methyl-5-oxo-1,3,6,6a,7,9-hexahydroazuleno[4,5-c]furan-8,8-dicarboxylate

Drug info:

PubChemData

Smile

CC1=C2CC(CC2=C3COCC3CC1=O)(C(=O)OC)C(=O)OC

DOS

IR

Vibrations