Geometry & MOs

Info

ID:	327051
PubChem CID:	126688923
Reduced:	O8C17H20 (1)
Stoich.:	A8B17C20 (1)
Weight, g/mol:	314.318481
ΔH_f, kcal/mol:	-334.39
Dipole, Da:	5.4
IP(EA), eV:	-9.8(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-dimethyl-3-(2-methylbutoxy)-7-pentan-2-yloxyoctane

Drug info:

PubChemData

Smile

C[C@@H](C(=O)O[C@@H](C)C(=O)OCC1=CC=CC=C1)OC(=O)CCC(=O)O

DOS

IR

Vibrations