Geometry & MOs

Info

ID:	11298
PubChem CID:	113437
Reduced:	O4C15H27 (2)
Stoich.:	A4B15C27 (2)
Weight, g/mol:	542.381869
ΔH_f, kcal/mol:	-469.86
Dipole, Da:	4.6
IP(EA), eV:	-10.56(0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

bis[2,2,4-trimethyl-1-(2-methylpropanoyloxy)pentan-3-yl] hexanedioate

Drug info:

PubChemData

Smile

CC(C)C(C(C)(C)COC(=O)C(C)C)OC(=O)CCCCC(=O)OC(C(C)C)C(C)(C)COC(=O)C(C)C

DOS

IR

Vibrations