Geometry & MOs

Info

ID:	56731
PubChem CID:	22389111
Reduced:	O2N3C17H21 (1)
Stoich.:	A2B3C17D21 (1)
Weight, g/mol:	375.140533
ΔH_f, kcal/mol:	-38.63
Dipole, Da:	2.96
IP(EA), eV:	-8.88(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-azabicyclo[2.2.1]heptan-3-yl)-2-(2-phenylethynyl)-6H-thieno[3,2-c]pyridine-5-carboxamide

Drug info:

PubChemData

Smile

CCC1=COC2=CN=C(C=C21)C(=O)NC3CC4CCN(C4)C3

DOS

IR

Vibrations