Geometry & MOs

Info

ID:	137178
PubChem CID:	52166963
Reduced:	SO4N5C17H17 (1)
Stoich.:	AB4C5D17E17 (1)
Weight, g/mol:	376.02834
ΔH_f, kcal/mol:	-50.05
Dipole, Da:	0.33
IP(EA), eV:	-8.75(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-(4-bromo-3,5-dimethylpyrazol-1-yl)anilino]-2H-1,2,4-triazine-3,5-dione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OCC2=NN=C(O2)SCC3=NC(=NC=C3C(=O)OC)N

DOS

IR

Vibrations