Geometry & MOs

Info

ID:	78643
PubChem CID:	49703343
Reduced:	ClN3O3H18C20 (1)
Stoich.:	AB3C3D18E20 (1)
Weight, g/mol:	424.138284
ΔH_f, kcal/mol:	-43.9
Dipole, Da:	6.02
IP(EA), eV:	-9.0(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methoxy-5-nitrophenyl)-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC=CC=C1Cl)N2C(=O)C=CC(=N2)C3=CC=C(C=C3)OC

DOS

IR

Vibrations