Geometry & MOs

Info

ID:	399301
PubChem CID:	135039509
Reduced:	ClNO2C13H14 (1)
Stoich.:	ABC2D13E14 (1)
Weight, g/mol:	208.109944
ΔH_f, kcal/mol:	-76.65
Dipole, Da:	2.49
IP(EA), eV:	-8.78(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-phenylethoxy)-1,4-dioxane

Drug info:

PubChemData

Smile

CCOC(=O)NC1=C(CCC2=CC=CC=C21)Cl

DOS

IR

Vibrations