Geometry & MOs

Info

ID:	56735
PubChem CID:	22389206
Reduced:	SO2N3C16H19 (1)
Stoich.:	AB2C3D16E19 (1)
Weight, g/mol:	355.200825
ΔH_f, kcal/mol:	-32.69
Dipole, Da:	3.74
IP(EA), eV:	-8.78(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-azabicyclo[3.2.1]octan-3-yl)-3-piperazin-1-ylfuro[2,3-c]pyridine-5-carboxamide

Drug info:

PubChemData

Smile

COC1=C2C(=CC(=N1)C(=O)NC3CC4CCN(C4)C3)C=CS2

DOS

IR

Vibrations