Geometry & MOs

Info

ID:	11206
PubChem CID:	111832
Reduced:	O5C14H29 (2)
Stoich.:	A5B14C29 (2)
Weight, g/mol:	554.402998
ΔH_f, kcal/mol:	-565.11
Dipole, Da:	4.84
IP(EA), eV:	-10.94(0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-bis(hydroxymethyl)propane-1,3-diol;decanoic acid;octanoic acid;pentanoic acid

Drug info:

PubChemData

Smile

CCCCCCCCCC(=O)O.CCCCCCCC(=O)O.CCCCC(=O)O.C(C(CO)(CO)CO)O

DOS

IR

Vibrations