Geometry & MOs

Info

ID:	224312
PubChem CID:	85341284
Reduced:	NO2C19H21 (1)
Stoich.:	AB2C19D21 (1)
Weight, g/mol:	296.104859
ΔH_f, kcal/mol:	-54.79
Dipole, Da:	3.41
IP(EA), eV:	-9.44(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(naphthalen-2-ylmethoxymethyl)-6,8-dioxabicyclo[3.2.1]oct-3-en-2-one

Drug info:

PubChemData

Smile

C1C(CN(C1=O)CCC(C2=CC=CC=C2)O)C3=CC=CC=C3

DOS

IR

Vibrations