Geometry & MOs

Info

ID:	56732
PubChem CID:	22389134
Reduced:	OSN3H21C22 (1)
Stoich.:	ABC3D21E22 (1)
Weight, g/mol:	273.093583
ΔH_f, kcal/mol:	91.37
Dipole, Da:	3.21
IP(EA), eV:	-8.02(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-azabicyclo[2.2.1]heptan-5-yl)thieno[3,4-c]pyridine-6-carboxamide

Drug info:

PubChemData

Smile

C1CN2CC1C(C2)NC(=O)N3CC=C4C(=C3)C=C(S4)C#CC5=CC=CC=C5

DOS

IR

Vibrations