Geometry & MOs

Info

ID:	37896
PubChem CID:	8025392
Reduced:	OF2N2H18C21 (1)
Stoich.:	AB2C2D18E21 (1)
Weight, g/mol:	346.156039
ΔH_f, kcal/mol:	-58.3
Dipole, Da:	4.23
IP(EA), eV:	-9.19(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

N-[(2-chlorophenyl)methyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(C2=CC=CC=C2)NCC(=O)NC3=C(C=CC(=C3)F)F

DOS

IR

Vibrations