Geometry & MOs

Info

ID:	79778
PubChem CID:	49830326
Reduced:	ClN4H19C21 (1)
Stoich.:	AB4C19D21 (1)
Weight, g/mol:	384.058945
ΔH_f, kcal/mol:	80.25
Dipole, Da:	4.56
IP(EA), eV:	-8.72(-0.65)
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]-2,6-difluorobenzamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)CNC2=NC(=CC(=C2)C3=CNC4=C3C=CC=N4)Cl)C

DOS

IR

Vibrations