Geometry & MOs

Info

ID:	183116
PubChem CID:	76980521
Reduced:	F2O2N3C12H13 (1)
Stoich.:	A2B2C3D12E13 (1)
Weight, g/mol:	323.02694
ΔH_f, kcal/mol:	-86.77
Dipole, Da:	5.08
IP(EA), eV:	-8.35(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

1-[2-(3-bromoanilino)ethyl]-4-methylpyrazine-1,4-diium-2,3-dione

Drug info:

PubChemData

Smile

C1CNC(=C(N)N=O)CC1OC2=CC(=C(C=C2)F)F

DOS

IR

Vibrations