Geometry & MOs

Info

ID:	372430
PubChem CID:	131297507
Reduced:	BrO2N3H6C9 (1)
Stoich.:	AB2C3D6E9 (1)
Weight, g/mol:	213.053826
ΔH_f, kcal/mol:	-40.94
Dipole, Da:	3.71
IP(EA), eV:	-10.27(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3,4-dioxocyclohexa-1,5-dien-1-yl)-1,4-dihydropyrazine-2-carbonitrile

Drug info:

PubChemData

Smile

C1=CN=CC(=C1C2=CC(=O)NC(=O)N2)Br

DOS

IR

Vibrations