Geometry & MOs

Info

ID:	18734
PubChem CID:	547039
Reduced:	N2O5C17H28 (1)
Stoich.:	A2B5C17D28 (1)
Weight, g/mol:	340.199822
ΔH_f, kcal/mol:	-229.16
Dipole, Da:	5.41
IP(EA), eV:	-8.52(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[5-(2-ethoxy-2-oxoethyl)-3,7-dimethyl-9-oxo-3,7-diazabicyclo[3.3.1]nonan-1-yl]acetate

Drug info:

PubChemData

Smile

CCOC(=O)CC12CN(CC(C1=O)(CN(C2)C)CC(=O)OCC)C

DOS

IR

Vibrations