Geometry & MOs

Info

ID:	220904
PubChem CID:	85240346
Reduced:	O3C18H22 (1)
Stoich.:	A3B18C22 (1)
Weight, g/mol:	286.156895
ΔH_f, kcal/mol:	-86.29
Dipole, Da:	5.44
IP(EA), eV:	-10.05(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethenyl-2,2-dimethyl-6-(3-phenylmethoxyprop-1-ynyl)-1,3-dioxane

Drug info:

PubChemData

Smile

CCCCCC(C=CC=CC=O)OC(=O)C1=CC=CC=C1

DOS

IR

Vibrations