Geometry & MOs

Info

ID:	56722
PubChem CID:	22389045
Reduced:	ClO2N3C14H14 (1)
Stoich.:	AB2C3D14E14 (1)
Weight, g/mol:	273.093583
ΔH_f, kcal/mol:	-16.88
Dipole, Da:	2.86
IP(EA), eV:	-9.15(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C2CC(C1NC2)NC(=O)C3=NC(=C4C(=C3)C=CO4)Cl

DOS

IR

Vibrations