Geometry & MOs

Info

ID:	79779
PubChem CID:	49830328
Reduced:	ClOF2N4H11C19 (1)
Stoich.:	ABC2D4E11F19 (1)
Weight, g/mol:	348.077789
ΔH_f, kcal/mol:	-34.02
Dipole, Da:	3.6
IP(EA), eV:	-9.05(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[6-chloro-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-yl]benzamide

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)F)C(=O)NC2=NC(=CC(=C2)C3=CNC4=C3C=CC=N4)Cl)F

DOS

IR

Vibrations