Geometry & MOs

Info

ID:	156716
PubChem CID:	56371888
Reduced:	ClON3C24H26 (1)
Stoich.:	ABC3D24E26 (1)
Weight, g/mol:	426.223118
ΔH_f, kcal/mol:	18.29
Dipole, Da:	4.17
IP(EA), eV:	-8.8(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]acetamide

Drug info:

PubChemData

Smile

C1CN(CCN(C1)C(=O)C2=CC3=C(C=C2)N=C(C=C3)Cl)CCCC4=CC=CC=C4

DOS

IR

Vibrations