Geometry & MOs

Info

ID:	173397
PubChem CID:	75633647
Reduced:	FN3O3H18C21 (1)
Stoich.:	AB3C3D18E21 (1)
Weight, g/mol:	395.16452
ΔH_f, kcal/mol:	-92.86
Dipole, Da:	6.74
IP(EA), eV:	-8.84(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

2-[4-(5-fluoro-2-methylphenyl)-2,3-dioxopyrazine-1,4-diium-1-yl]-N-[1-(4-methylphenyl)ethyl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)F)[N+]2=CC=[N+](C(=O)C2=O)CC(=O)N3CCC4=CC=CC=C43

DOS

IR

Vibrations