Geometry & MOs

Info

ID:	78709
PubChem CID:	49703882
Reduced:	N3O4C24H27 (1)
Stoich.:	A3B4C24D27 (1)
Weight, g/mol:	426.133948
ΔH_f, kcal/mol:	-90.47
Dipole, Da:	3.84
IP(EA), eV:	-8.68(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-fluoro-3-nitrophenyl)propanamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C2=NN(C(=O)C=C2)C(C)C(=O)NCCC3=CC=CC=C3OC

DOS

IR

Vibrations