Geometry & MOs

Info

ID:	379883
PubChem CID:	134963582
Reduced:	NOSCl2C7H13 (1)
Stoich.:	ABCD2E7F13 (1)
Weight, g/mol:	208.076726
ΔH_f, kcal/mol:	-75.31
Dipole, Da:	1.33
IP(EA), eV:	-9.54(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S)-2-(6-chloropyridin-3-yl)-7-azabicyclo[2.2.1]heptane

Drug info:

PubChemData

Smile

C[C@@H](C[C@@H](C(=O)SC)N)C(Cl)Cl

DOS

IR

Vibrations