Geometry & MOs

Info

ID:	189305
PubChem CID:	77840362
Reduced:	Cl2N2O5C21H28 (1)
Stoich.:	A2B2C5D21E28 (1)
Weight, g/mol:	342.126569
ΔH_f, kcal/mol:	-205.05
Dipole, Da:	6.53
IP(EA), eV:	-9.16(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-(3,4-dichlorophenoxy)-N,N,3-trimethyl-3-azabicyclo[3.3.1]nonan-6-amine

Drug info:

PubChemData

Smile

CN1CC2CCC(C(C1)C2OC3=CC(=C(C=C3)Cl)Cl)N(C)C.C(=CC(=O)O)C(=O)O

DOS

IR

Vibrations