Geometry & MOs

Info

ID:	82623
PubChem CID:	49856255
Reduced:	ON5C13H17 (1)
Stoich.:	AB5C13D17 (1)
Weight, g/mol:	405.02589
ΔH_f, kcal/mol:	11.24
Dipole, Da:	4.99
IP(EA), eV:	-9.26(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-bromothiophen-2-yl)-N-[(3S)-piperidin-3-yl]-1H-imidazo[4,5-b]pyridine-7-carboxamide

Drug info:

PubChemData

Smile

C1CC(CNC1)CNC(=O)C2=C3C(=NC=C2)N=CN3

DOS

IR

Vibrations