Geometry & MOs

Info

ID:	146204
PubChem CID:	53650588
Reduced:	NO4C11H15 (1)
Stoich.:	AB4C11D15 (1)
Weight, g/mol:	326.188195
ΔH_f, kcal/mol:	-168.11
Dipole, Da:	3.57
IP(EA), eV:	-10.19(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-butyl-2-[4-(4-methylphenoxy)phenyl]-1,3-dioxane

Drug info:

PubChemData

Smile

CC1C(C(=NC(=C1C(=O)OC)C)C)C(=O)O

DOS

IR

Vibrations