Geometry & MOs

Info

ID:	158721
PubChem CID:	56465218
Reduced:	O3N4C24H32 (1)
Stoich.:	A3B4C24D32 (1)
Weight, g/mol:	499.21951
ΔH_f, kcal/mol:	-72.56
Dipole, Da:	6.72
IP(EA), eV:	-8.5(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-N-[2-(4-methylpiperazin-1-yl)-1-phenylethyl]-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)CC(C2=CC=CC=C2)NC(=O)C3CCN(CC3)C(=O)C4=CC=CO4

DOS

IR

Vibrations