Geometry & MOs

Info

ID:	20663
PubChem CID:	585065
Reduced:	NO2C6H7 (2)
Stoich.:	AB2C6D7 (2)
Weight, g/mol:	250.095357
ΔH_f, kcal/mol:	-97.28
Dipole, Da:	3.04
IP(EA), eV:	-8.88(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-ethoxy-2,3-dihydro-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

CCOC1NN=C(O1)C2COC3=CC=CC=C3O2

DOS

IR

Vibrations