Geometry & MOs

Info

ID:	35653
PubChem CID:	7980150
Reduced:	FNO4C18H18 (1)
Stoich.:	ABC4D18E18 (1)
Weight, g/mol:	274.051393
ΔH_f, kcal/mol:	-175.32
Dipole, Da:	3.55
IP(EA), eV:	-8.83(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[4-(3,5-dichloropyridin-1-ium-2-yl)piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)NC(=O)COC(=O)COC2=CC=CC=C2F)C

DOS

IR

Vibrations