Geometry & MOs

Info

ID:	56749
PubChem CID:	22389364
Reduced:	O2N3C15H17 (1)
Stoich.:	A2B3C15D17 (1)
Weight, g/mol:	323.109233
ΔH_f, kcal/mol:	-18.23
Dipole, Da:	3.67
IP(EA), eV:	-9.23(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-azabicyclo[2.2.1]heptan-3-yl)-[1]benzothiolo[3,2-c]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=COC2=CN=C(C=C12)C(=O)NC3CN4CCC3C4

DOS

IR

Vibrations