Geometry & MOs

Info

ID:	343625
PubChem CID:	127266801
Reduced:	ClN3O5C21H26 (1)
Stoich.:	AB3C5D21E26 (1)
Weight, g/mol:	328.215078
ΔH_f, kcal/mol:	-144.77
Dipole, Da:	3.25
IP(EA), eV:	-9.16(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-[3-(1-methylpiperidin-3-yl)phenyl]methanone

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Cl)OCC(=O)NC2(CCOCC2)C3=NC(=NO3)C4CCOCC4

DOS

IR

Vibrations