Geometry & MOs

Info

ID:	397216
PubChem CID:	135029900
Reduced:	O2C13H14 (1)
Stoich.:	A2B13C14 (1)
Weight, g/mol:	426.298139
ΔH_f, kcal/mol:	-76.11
Dipole, Da:	5.93
IP(EA), eV:	-9.88(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7,14,21-triethyl-1,8,15-trioxacyclohenicosane-2,9,16-trione

Drug info:

PubChemData

Smile

C1CCC2[C@@H](C1)C3=CC=CC=C3C(=O)O2

DOS

IR

Vibrations