Geometry & MOs

Info

ID:	207664
PubChem CID:	80434629
Reduced:	ClN4H7C11 (1)
Stoich.:	AB4C7D11 (1)
Weight, g/mol:	258.100442
ΔH_f, kcal/mol:	108.22
Dipole, Da:	7.74
IP(EA), eV:	-9.85(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-oxo-1-phenyl-5-propan-2-ylpyridazine-3-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC2=C(C=NC=C2)C(=C1)N3C=NN=C3Cl

DOS

IR

Vibrations