Geometry & MOs

Info

ID:	17619
PubChem CID:	507944
Reduced:	FO3N6H21C27 (1)
Stoich.:	AB3C6D21E27 (1)
Weight, g/mol:	496.165917
ΔH_f, kcal/mol:	-20.03
Dipole, Da:	8.53
IP(EA), eV:	-9.16(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-benzoylpiperazin-1-yl)-2-[4-fluoro-7-(1H-imidazo[4,5-b]pyridin-2-yl)-1H-indol-3-yl]ethane-1,2-dione

Drug info:

PubChemData

Smile

C1CN(CCN1C(=O)C2=CC=CC=C2)C(=O)C(=O)C3=CNC4=C(C=CC(=C34)F)C5=NC6=C(N5)C=CC=N6

DOS

IR

Vibrations