Geometry & MOs

Info

ID:	142173
PubChem CID:	52995487
Reduced:	ClN5C16H18 (1)
Stoich.:	AB5C16D18 (1)
Weight, g/mol:	388.191756
ΔH_f, kcal/mol:	84.34
Dipole, Da:	4.67
IP(EA), eV:	-9.33(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine;hydrochloride

Drug info:

PubChemData

Smile

CCN1N=C(N=N1)NCC2=CC=C(C=C2)C3=CC=CC=C3.Cl

DOS

IR

Vibrations