Geometry & MOs

Info

ID:	246777
PubChem CID:	103064858
Reduced:	SO2N3C9H11 (1)
Stoich.:	AB2C3D9E11 (1)
Weight, g/mol:	268.19732
ΔH_f, kcal/mol:	-34.98
Dipole, Da:	1.18
IP(EA), eV:	-8.98(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-propyl-9-(thiolan-3-yl)-9-azabicyclo[3.3.1]nonan-3-amine

Drug info:

PubChemData

Smile

C1CSCC1NC2=C(C=CN=N2)C(=O)O

DOS

IR

Vibrations