Geometry & MOs

Info

ID:	22093
PubChem CID:	595985
Reduced:	O5C17H22 (1)
Stoich.:	A5B17C22 (1)
Weight, g/mol:	306.146724
ΔH_f, kcal/mol:	-208.22
Dipole, Da:	5.23
IP(EA), eV:	-10.04(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-O-(2-ethyl-4-oxohexyl) 1-O-methyl benzene-1,2-dicarboxylate

Drug info:

PubChemData

Smile

CCC(CC(=O)CC)COC(=O)C1=CC=CC=C1C(=O)OC

DOS

IR

Vibrations