Geometry & MOs

Info

ID:	79759
PubChem CID:	49830275
Reduced:	ClN4H15C19 (1)
Stoich.:	AB4C15D19 (1)
Weight, g/mol:	349.102668
ΔH_f, kcal/mol:	97.6
Dipole, Da:	2.98
IP(EA), eV:	-8.84(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-difluoro-N-(3-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations