Geometry & MOs

Info

ID:	39671
PubChem CID:	8141829
Reduced:	FO2N3C21H24 (1)
Stoich.:	AB2C3D21E24 (1)
Weight, g/mol:	390.162923
ΔH_f, kcal/mol:	-95.09
Dipole, Da:	7.84
IP(EA), eV:	-9.13(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[4-[2-(3-fluorophenoxy)acetyl]piperazin-1-ium-1-yl]-N-(3-fluorophenyl)acetamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C(=O)N2CCN(CC2)CC(=O)NC3=CC(=CC=C3)F

DOS

IR

Vibrations