Geometry & MOs

Info

ID:	82624
PubChem CID:	49856256
Reduced:	BrOSN5C16H16 (1)
Stoich.:	ABCD5E16F16 (1)
Weight, g/mol:	419.04154
ΔH_f, kcal/mol:	51.47
Dipole, Da:	4.64
IP(EA), eV:	-9.23(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C[C@@H](CNC1)NC(=O)C2=C3C(=NC=C2)N=C(N3)C4=CC=C(S4)Br

DOS

IR

Vibrations