Geometry & MOs

Info

ID:	79772
PubChem CID:	49830307
Reduced:	ClON6C19H21 (1)
Stoich.:	ABC6D19E21 (1)
Weight, g/mol:	348.138639
ΔH_f, kcal/mol:	12.15
Dipole, Da:	3.32
IP(EA), eV:	-9.09(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-fluoro-N-[(4-methoxyphenyl)methyl]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine

Drug info:

PubChemData

Smile

CC(=O)NC1CCCC(C1)NC2=NC(=CC(=N2)Cl)C3=CNC4=C3C=CC=N4

DOS

IR

Vibrations