Geometry & MOs

Info

ID:	82619
PubChem CID:	49856251
Reduced:	OF3N5H26C28 (1)
Stoich.:	AB3C5D26E28 (1)
Weight, g/mol:	419.04154
ΔH_f, kcal/mol:	-83.17
Dipole, Da:	3.38
IP(EA), eV:	-8.82(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(=O)NCCN(CC2=CC=CC=N2)CC3=CC=CC=N3)NC4=CC=CC(=C4)C(F)(F)F

DOS

IR

Vibrations