Geometry & MOs

Info

ID:	245019
PubChem CID:	99432146
Reduced:	N2O5C20H22 (1)
Stoich.:	A2B5C20D22 (1)
Weight, g/mol:	435.123049
ΔH_f, kcal/mol:	-131.8
Dipole, Da:	4.59
IP(EA), eV:	-9.52(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[[[1-(4-fluorophenyl)-6-oxopyridazine-3-carbonyl]amino]methyl]-1-benzofuran-2-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2=CC=CC=C2O1)CNC(=O)CCC3=C(ON=C3C)C

DOS

IR

Vibrations