Geometry & MOs

Info

ID:	48087
PubChem CID:	10537071
Reduced:	NOSC12H17 (1)
Stoich.:	ABCD12E17 (1)
Weight, g/mol:	223.087625
ΔH_f, kcal/mol:	11.6
Dipole, Da:	4.22
IP(EA), eV:	-8.57(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-3-(6-chloropyridin-2-yl)-3,8-diazabicyclo[3.2.1]octane

Drug info:

PubChemData

Smile

CC/C=C\CS(=NC)(=O)C1=CC=CC=C1

DOS

IR

Vibrations