Geometry & MOs

Info

ID:	136868
PubChem CID:	52115693
Reduced:	FO4N5C23H30 (1)
Stoich.:	AB4C5D23E30 (1)
Weight, g/mol:	416.221226
ΔH_f, kcal/mol:	-158.65
Dipole, Da:	4.87
IP(EA), eV:	-9.12(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3,4-dimethylphenyl)-2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]pyridazin-3-one

Drug info:

PubChemData

Smile

COCCCNC(=O)CN1CCN(CC1)C(=O)CCN2C(=O)C=CC(=N2)C3=CC=C(C=C3)F

DOS

IR

Vibrations