Geometry & MOs

Info

ID:	134363
PubChem CID:	51685804
Reduced:	SN5C20H31 (1)
Stoich.:	AB5C20D31 (1)
Weight, g/mol:	295.148024
ΔH_f, kcal/mol:	27.94
Dipole, Da:	2.76
IP(EA), eV:	-8.55(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(1S,5R)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] 2-(thiophen-2-ylmethylamino)acetate

Drug info:

PubChemData

Smile

CCN(CC)CCCNC(=S)N1CCC[C@H](C1)C2=NC3=CC=CC=C3N2

DOS

IR

Vibrations