Geometry & MOs

Info

ID:	13146
PubChem CID:	221992
Reduced:	ClO2C12H15 (1)
Stoich.:	AB2C12D15 (1)
Weight, g/mol:	226.076057
ΔH_f, kcal/mol:	-89.94
Dipole, Da:	2.57
IP(EA), eV:	-9.59(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chlorophenyl)-5,5-dimethyl-1,3-dioxane

Drug info:

PubChemData

Smile

CC1(COC(OC1)C2=CC=C(C=C2)Cl)C

DOS

IR

Vibrations