Geometry & MOs

Info

ID:	56736
PubChem CID:	22389207
Reduced:	O2N5C19H25 (1)
Stoich.:	A2B5C19D25 (1)
Weight, g/mol:	398.102431
ΔH_f, kcal/mol:	-16.28
Dipole, Da:	2.56
IP(EA), eV:	-8.6(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-azabicyclo[3.2.1]octan-3-yl)-3-[(2,2,2-trifluoroacetyl)amino]thieno[2,3-c]pyridine-5-carboxamide

Drug info:

PubChemData

Smile

C1CN2CC1CC(C2)NC(=O)C3=NC=C4C(=C3)C(=CO4)N5CCNCC5

DOS

IR

Vibrations