Geometry & MOs

Info

ID:	136892
PubChem CID:	52119665
Reduced:	ClN4O5H19C21 (1)
Stoich.:	AB4C5D19E21 (1)
Weight, g/mol:	409.155018
ΔH_f, kcal/mol:	-113.98
Dipole, Da:	5.8
IP(EA), eV:	-8.34(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[4-(dimethylamino)anilino]-2-oxoethyl]-N-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1NC(=O)CN2C(=O)C=CC(=N2)C(=O)NC3=CC=CC=C3)Cl)OC

DOS

IR

Vibrations