Geometry & MOs

Info

ID:	297654
PubChem CID:	117624895
Reduced:	ClO4N6H11C14 (1)
Stoich.:	AB4C6D11E14 (1)
Weight, g/mol:	393.06401
ΔH_f, kcal/mol:	-38.2
Dipole, Da:	3.39
IP(EA), eV:	-9.64(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2-chloro-4-fluorophenyl)methyl]-2-methyl-6-(1-methyl-5,6-dioxo-4H-pyridazin-4-yl)-1,2,4-triazine-3,5-dione

Drug info:

PubChemData

Smile

CN1C(=O)C(=O)C(C=N1)C2=NN(C(=O)N(C2=O)C3=NC=C(C=C3)Cl)C

DOS

IR

Vibrations