Geometry & MOs

Info

ID:	309535
PubChem CID:	126547189
Reduced:	BrClSN2C17H18 (1)
Stoich.:	ABCD2E17F18 (1)
Weight, g/mol:	329.11757
ΔH_f, kcal/mol:	37.15
Dipole, Da:	4.55
IP(EA), eV:	-8.52(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 8-(4-fluorophenyl)-1-methyl-7-oxo-4H-pyrido[2,3-c]pyridazine-6-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)S/N=C(\C1=CC=C(C=C1)Cl)/C2=C(C=CC(=C2)Br)N

DOS

IR

Vibrations