Geometry & MOs

Info

ID:	56727
PubChem CID:	22389095
Reduced:	O3N4C16H18 (1)
Stoich.:	A3B4C16D18 (1)
Weight, g/mol:	388.139154
ΔH_f, kcal/mol:	-62.91
Dipole, Da:	3.59
IP(EA), eV:	-8.98(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-azabicyclo[3.2.1]octan-3-yl)-2-thiomorpholin-4-ylthieno[3,2-c]pyridine-6-carboxamide

Drug info:

PubChemData

Smile

C1CN2CC1CC(C2)NC(=O)C3=NC=C4C=C(OC4=C3)NC=O

DOS

IR

Vibrations