Geometry & MOs

Info

ID:	190941
PubChem CID:	78080997
Reduced:	ClO3N4C16H17 (1)
Stoich.:	AB3C4D16E17 (1)
Weight, g/mol:	376.199822
ΔH_f, kcal/mol:	-64.76
Dipole, Da:	3.37
IP(EA), eV:	-9.85(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(2,3-dimethoxyphenyl)acetyl]-6-(2-methoxyethyl)-3,6-diazabicyclo[3.2.2]nonan-7-one

Drug info:

PubChemData

Smile

C1C(C(CN1C(=O)CCC2=NC(=NN2)Cl)C(=O)O)C3=CC=CC=C3

DOS

IR

Vibrations