Geometry & MOs

Info

ID:	60995
PubChem CID:	26703975
Reduced:	ClNO5H18C23 (1)
Stoich.:	ABC5D18E23 (1)
Weight, g/mol:	443.128134
ΔH_f, kcal/mol:	-127.68
Dipole, Da:	5.11
IP(EA), eV:	-8.63(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-benzamidophenyl) 1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)OC(=O)[C@@H]3CC4=C(O3)C=CC(=C4)Cl

DOS

IR

Vibrations