Geometry & MOs

Info

ID:	150687
PubChem CID:	53790381
Reduced:	O2C13H17 (2)
Stoich.:	A2B13C17 (2)
Weight, g/mol:	450.196173
ΔH_f, kcal/mol:	-137.68
Dipole, Da:	5.73
IP(EA), eV:	-8.56(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(4-pentoxyphenyl)phenyl] 2-chloro-3-phenylpentanoate

Drug info:

PubChemData

Smile

CCCOC1=CC=C(C=C1)C(=O)C=CC2=C(C(=CC(=C2)OCC)OCC)C(C)(C)C

DOS

IR

Vibrations