Geometry & MOs

Info

ID:	150756
PubChem CID:	53790452
Reduced:	NPO6C28H32 (1)
Stoich.:	ABC6D28E32 (1)
Weight, g/mol:	306.219495
ΔH_f, kcal/mol:	-263.8
Dipole, Da:	3.17
IP(EA), eV:	-9.2(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,5R)-2-hexyl-5-(4-propoxyphenyl)-1,4-dioxane

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=C(C=C1)NC(=O)[C@H](CC2=CC=CC=C2)OP(=O)(CCC3=CC=CC=C3)OCC

DOS

IR

Vibrations