Geometry & MOs

Info

ID:	13451
PubChem CID:	232960
Reduced:	O3C13H17 (2)
Stoich.:	A3B13C17 (2)
Weight, g/mol:	442.235539
ΔH_f, kcal/mol:	-237.91
Dipole, Da:	3.81
IP(EA), eV:	-8.73(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[4-[4-[4-(2-ethoxy-2-oxoethoxy)phenyl]hexan-3-yl]phenoxy]acetate

Drug info:

PubChemData

Smile

CCC(C1=CC=C(C=C1)OCC(=O)OCC)C(CC)C2=CC=C(C=C2)OCC(=O)OCC

DOS

IR

Vibrations