Geometry & MOs

Info

ID:	164429
PubChem CID:	74399313
Reduced:	SCl3N4O9C31H41 (1)
Stoich.:	AB3C4D9E31F41 (1)
Weight, g/mol:	430.202321
ΔH_f, kcal/mol:	-410.98
Dipole, Da:	4.55
IP(EA), eV:	-8.59(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-aminophenyl)ethyl 3-(4-methoxyphenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate;hydrochloride

Drug info:

PubChemData

Smile

CCC(=O)OCOC(=O)N=C(C1=CC=CC(=C1)C=CCN(C2=CC(=C(C=C2)OC3CCN(CC3)C)Cl)S(=O)(=O)CC(=O)OCC)N.Cl.Cl

DOS

IR

Vibrations