Geometry & MOs

Info

ID:	181246
PubChem CID:	76721501
Reduced:	BrON5C19H20 (1)
Stoich.:	ABC5D19E20 (1)
Weight, g/mol:	428.09602
ΔH_f, kcal/mol:	47.6
Dipole, Da:	5.39
IP(EA), eV:	-8.28(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(3-aminopiperidin-1-yl)-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-methylpyridine-2-carboxamide

Drug info:

PubChemData

Smile

C1CC(CN(C1)C2=C3C(=CNC3=NC=C2Br)CC(=O)C4=CC=CC=N4)N

DOS

IR

Vibrations