Geometry & MOs

Info

ID:	13138
PubChem CID:	221902
Reduced:	ClO2C11H13 (1)
Stoich.:	AB2C11D13 (1)
Weight, g/mol:	212.060407
ΔH_f, kcal/mol:	-82.38
Dipole, Da:	4.42
IP(EA), eV:	-9.46(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chlorophenyl)-4-methyl-1,3-dioxane

Drug info:

PubChemData

Smile

CC1CCOC(O1)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations