Geometry & MOs

Info

ID:	181247
PubChem CID:	76721502
Reduced:	BrON6C19H21 (1)
Stoich.:	ABC6D19E21 (1)
Weight, g/mol:	406.13682
ΔH_f, kcal/mol:	32.25
Dipole, Da:	5.91
IP(EA), eV:	-8.49(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-bromo-4-(3-propylpiperidin-1-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-methylpropanamide

Drug info:

PubChemData

Smile

CC1=CN=C(C=C1)C(=O)NC2=CNC3=NC=C(C(=C23)N4CCCC(C4)N)Br

DOS

IR

Vibrations