Geometry & MOs

Info

ID:	173398
PubChem CID:	75633671
Reduced:	FN3O3C22H22 (1)
Stoich.:	AB3C3D22E22 (1)
Weight, g/mol:	385.123798
ΔH_f, kcal/mol:	-114.82
Dipole, Da:	7.91
IP(EA), eV:	-8.77(-0.55)
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-[(2-fluorophenyl)methyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(C)NC(=O)C[N+]2=CC=[N+](C(=O)C2=O)C3=C(C=CC(=C3)F)C

DOS

IR

Vibrations