Geometry & MOs

Info

ID:	61230
PubChem CID:	26707233
Reduced:	Cl2N2O3C20H20 (1)
Stoich.:	A2B2C3D20E20 (1)
Weight, g/mol:	456.136446
ΔH_f, kcal/mol:	-100.89
Dipole, Da:	3.54
IP(EA), eV:	-9.32(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide

Drug info:

PubChemData

Smile

CCN(CC(=O)NCC1=CC=C(C=C1)Cl)C(=O)[C@@H]2CC3=C(O2)C=CC(=C3)Cl

DOS

IR

Vibrations