Geometry & MOs

Info

ID:	138157
PubChem CID:	52320320
Reduced:	FN3O5C19H20 (1)
Stoich.:	AB3C5D19E20 (1)
Weight, g/mol:	412.129731
ΔH_f, kcal/mol:	-200.64
Dipole, Da:	8.0
IP(EA), eV:	-9.34(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

4-[[[2-(3-naphthalen-2-yl-6-oxopyridazin-1-yl)acetyl]amino]methyl]benzoate

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)C2=NN(C(=O)C=C2)CC(=O)N3CCC[C@@H](C3)C(=O)O)F

DOS

IR

Vibrations