Geometry & MOs

Info

ID:	189417
PubChem CID:	77853163
Reduced:	N2O6C21H22 (1)
Stoich.:	A2B6C21D22 (1)
Weight, g/mol:	371.203134
ΔH_f, kcal/mol:	-218.34
Dipole, Da:	7.89
IP(EA), eV:	-9.58(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-dimethyl-4-[[6-(2-phenylsulfanylethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]-1,2-oxazole

Drug info:

PubChemData

Smile

CC(C)N1C=C(C(=O)C(=C1)C(=O)O)C(=O)N2CC(C(C2)C(=O)O)C3=CC=CC=C3

DOS

IR

Vibrations