Geometry & MOs

Info

ID:	10962
PubChem CID:	109430
Reduced:	OC6H10 (6)
Stoich.:	AB6C10 (6)
Weight, g/mol:	588.43899
ΔH_f, kcal/mol:	-346.14
Dipole, Da:	3.24
IP(EA), eV:	-10.56(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-O-(2-ethyl-3-methylbutyl) 1-O-(2-ethyl-3-methylhexyl) 4-O-(5-ethyl-6-methyloctyl) benzene-1,2,4-tricarboxylate

Drug info:

PubChemData

Smile

CCCC(C)C(CC)COC(=O)C1=C(C=C(C=C1)C(=O)OCCCCC(CC)C(C)CC)C(=O)OCC(CC)C(C)C

DOS

IR

Vibrations