Geometry & MOs

Info

ID:	209773
PubChem CID:	80720621
Reduced:	N2O5C13H20 (1)
Stoich.:	A2B5C13D20 (1)
Weight, g/mol:	238.204513
ΔH_f, kcal/mol:	-216.57
Dipole, Da:	6.84
IP(EA), eV:	-9.65(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,5-diazocane

Drug info:

PubChemData

Smile

C1CC2C(CC1O2)NC(=O)N3CCOCC3CC(=O)O

DOS

IR

Vibrations