Geometry & MOs

Info

ID:	8974
PubChem CID:	84447
Reduced:	O8C41H76 (1)
Stoich.:	A8B41C76 (1)
Weight, g/mol:	696.554019
ΔH_f, kcal/mol:	-512.59
Dipole, Da:	5.1
IP(EA), eV:	-10.48(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-nonanoyloxy-2,2-bis(nonanoyloxymethyl)propyl] nonanoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations