Geometry & MOs

Info

ID:	133980
PubChem CID:	51621136
Reduced:	ON5C15H23 (1)
Stoich.:	AB5C15D23 (1)
Weight, g/mol:	353.177765
ΔH_f, kcal/mol:	10.82
Dipole, Da:	5.25
IP(EA), eV:	-8.28(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[4-[(4-cyanophenyl)methyl]piperazin-4-ium-1-yl]-N-(3-fluorophenyl)acetamide

Drug info:

PubChemData

Smile

C/C(=N/NC(=O)CCN1CCN(CC1)C)/C2=CC=CC=N2

DOS

IR

Vibrations