Geometry & MOs

Info

ID:	11146
PubChem CID:	111467
Reduced:	O3C18H38 (2)
Stoich.:	A3B18C38 (2)
Weight, g/mol:	604.56419
ΔH_f, kcal/mol:	-453.48
Dipole, Da:	6.89
IP(EA), eV:	-10.6(0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

decanoic acid;2-ethylhexan-1-ol;8-methylnonan-1-ol;octanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations