Geometry & MOs

Info

ID:	175141
PubChem CID:	75860330
Reduced:	ON5H21C22 (1)
Stoich.:	AB5C21D22 (1)
Weight, g/mol:	461.235279
ΔH_f, kcal/mol:	97.25
Dipole, Da:	7.18
IP(EA), eV:	-8.45(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4-benzamido-N-[1-[5-fluoro-2-(4-methylpiperazin-4-ium-1-yl)phenyl]ethyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NN=C2C3=CC=CC=C3C(=N2)C(C#N)C(=O)N4CCCC4

DOS

IR

Vibrations