Geometry & MOs

Info

ID:	207000
PubChem CID:	80330625
Reduced:	NSO2C10H15 (1)
Stoich.:	ABC2D10E15 (1)
Weight, g/mol:	294.140199
ΔH_f, kcal/mol:	-67.7
Dipole, Da:	1.56
IP(EA), eV:	-8.82(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]methyl]thiophene-3-carboxylic acid

Drug info:

PubChemData

Smile

C[C@H](C1=CC(=NC=C1)SCCOC)O

DOS

IR

Vibrations