Geometry & MOs

Info

ID:	199306
PubChem CID:	79228317
Reduced:	NSO2C14H19 (1)
Stoich.:	ABC2D14E19 (1)
Weight, g/mol:	274.15037
ΔH_f, kcal/mol:	-75.71
Dipole, Da:	4.02
IP(EA), eV:	-8.85(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine

Drug info:

PubChemData

Smile

C1CNCCC1(CCSC2=CC=CC=C2)C(=O)O

DOS

IR

Vibrations