Geometry & MOs

Info

ID:	61148
PubChem CID:	26706126
Reduced:	ClN2O2H13C18 (1)
Stoich.:	AB2C2D13E18 (1)
Weight, g/mol:	374.117904
ΔH_f, kcal/mol:	-11.43
Dipole, Da:	3.24
IP(EA), eV:	-8.99(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-fluorophenyl)-6-methyl-4-oxo-N-quinolin-5-ylpyridazine-3-carboxamide

Drug info:

PubChemData

Smile

C1[C@@H](OC2=C1C=C(C=C2)Cl)C(=O)NC3=CC=CC4=C3C=CC=N4

DOS

IR

Vibrations