Geometry & MOs

Info

ID:	8871
PubChem CID:	82710
Reduced:	O3C16H30 (2)
Stoich.:	A3B16C30 (2)
Weight, g/mol:	540.43899
ΔH_f, kcal/mol:	-395.58
Dipole, Da:	4.44
IP(EA), eV:	-10.62(0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-methyl-3-nonanoyloxy-2-(nonanoyloxymethyl)propyl] nonanoate

Drug info:

PubChemData

Smile

CCCCCCCCC(=O)OCC(C)(COC(=O)CCCCCCCC)COC(=O)CCCCCCCC

DOS

IR

Vibrations